N,N?-Bis[4-[1-[(2,6-difluorophenyl)methyl]-5-[(dimethylamino)methyl]-1,2,3,4-tetrahydro-3-(6-methoxy-3-pyridazinyl)-2,4-dioxothieno[2,3-d]pyrimidin-6-yl]phenyl]urea

Details

Stereochemistry	ACHIRAL
Molecular Formula	C55H46F4N12O7S2
Molecular Weight	1127.154
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of N,N?-Bis[4-[1-[(2,6-difluorophenyl)methyl]-5-[(dimethylamino)methyl]-1,2,3,4-tetrahydro-3-(6-methoxy-3-pyridazinyl)-2,4-dioxothieno[2,3-d]pyrimidin-6-yl]phenyl]urea

Structure Search

SMILES

COC1=CC=C(N=N1)N2C(=O)N(CC3=C(F)C=CC=C3F)C4=C(C(CN(C)C)=C(S4)C5=CC=C(NC(=O)NC6=CC=C(C=C6)C7=C(CN(C)C)C8=C(S7)N(CC9=C(F)C=CC=C9F)C(=O)N(C8=O)C%10=CC=C(OC)N=N%10)C=C5)C2=O

InChI

InChIKey=QZRWJZOJDXHHEH-UHFFFAOYSA-N

InChI=1S/C55H46F4N12O7S2/c1-66(2)25-35-45-49(72)70(41-21-23-43(77-5)64-62-41)54(75)68(27-33-37(56)9-7-10-38(33)57)51(45)79-47(35)29-13-17-31(18-14-29)60-53(74)61-32-19-15-30(16-20-32)48-36(26-67(3)4)46-50(73)71(42-22-24-44(78-6)65-63-42)55(76)69(52(46)80-48)28-34-39(58)11-8-12-40(34)59/h7-24H,25-28H2,1-6H3,(H2,60,61,74)

HIDE SMILES / InChI

Molecular Formula	C55H46F4N12O7S2
Molecular Weight	1127.154
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 19:41:43 GMT 2025` Edited by `admin` on `Wed Apr 02 19:41:43 GMT 2025`
Record UNII	CY2QD593C8
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

N,N?-Bis[4-[1-[(2,6-difluorophenyl)methyl]-5-[(dimethylamino)methyl]-1,2,3,4-tetrahydro-3-(6-methoxy-3-pyridazinyl)-2,4-dioxothieno[2,3-d]pyrimidin-6-yl]phenyl]urea

Systematic Name

English

Urea, N,N?-bis[4-[1-[(2,6-difluorophenyl)methyl]-5-[(dimethylamino)methyl]-1,2,3,4-tetrahydro-3-(6-methoxy-3-pyridazinyl)-2,4-dioxothieno[2,3-d]pyrimidin-6-yl]phenyl]-

Preferred Name

English

Code System Code Type Description

FDA UNII

CY2QD593C8

Created by admin on Wed Apr 02 19:41:43 GMT 2025 , Edited by admin on Wed Apr 02 19:41:43 GMT 2025

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CAS

2814571-36-1

Created by admin on Wed Apr 02 19:41:43 GMT 2025 , Edited by admin on Wed Apr 02 19:41:43 GMT 2025

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PUBCHEM

171390183

Created by admin on Wed Apr 02 19:41:43 GMT 2025 , Edited by admin on Wed Apr 02 19:41:43 GMT 2025

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