2-((6-(BIS(2-HYDROXYETHYL)AMINO)-4,8-BIS((((4-METHOXYPHENYL)METHYL)AMINO))-(1,3)DIAZINO(5,4-D)PYRIMIDIN-2-YL)(2-HYDROXYETHYL)AMINO)ETHAN-1-OL

Details

Stereochemistry	ACHIRAL
Molecular Formula	C30H40N8O6
Molecular Weight	608.6886
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2-((6-(BIS(2-HYDROXYETHYL)AMINO)-4,8-BIS((((4-METHOXYPHENYL)METHYL)AMINO))-(1,3)DIAZINO(5,4-D)PYRIMIDIN-2-YL)(2-HYDROXYETHYL)AMINO)ETHAN-1-OL

Structure Search

SMILES

COC1=CC=C(CNC2=NC(=NC3=C(NCC4=CC=C(OC)C=C4)N=C(N=C23)N(CCO)CCO)N(CCO)CCO)C=C1

InChI

InChIKey=YLCHOQKGZQGCKW-UHFFFAOYSA-N

InChI=1S/C30H40N8O6/c1-43-23-7-3-21(4-8-23)19-31-27-25-26(34-29(35-27)37(11-15-39)12-16-40)28(32-20-22-5-9-24(44-2)10-6-22)36-30(33-25)38(13-17-41)14-18-42/h3-10,39-42H,11-20H2,1-2H3,(H,31,34,35)(H,32,33,36)

HIDE SMILES / InChI

Molecular Formula	C30H40N8O6
Molecular Weight	608.6886
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 `Sat Dec 16 09:57:49 GMT 2023` Edited by `admin` on `Sat Dec 16 09:57:49 GMT 2023`
Record UNII	9NR6JP5JPE
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2-((6-(BIS(2-HYDROXYETHYL)AMINO)-4,8-BIS((((4-METHOXYPHENYL)METHYL)AMINO))-(1,3)DIAZINO(5,4-D)PYRIMIDIN-2-YL)(2-HYDROXYETHYL)AMINO)ETHAN-1-OL

Systematic Name

English

NU-3076

Common Name

English

ETHANOL, 2,2',2'',2'''-((4,8-BIS(((4-METHOXYPHENYL)METHYL)AMINO)PYRIMIDO(5,4-D)PYRIMIDINE-2,6-DIYL)DINITRILO)TETRAKIS-

Systematic Name

English

2,2',2'',2'''-((4,8-BIS(((4-METHOXYPHENYL)METHYL)AMINO)PYRIMIDO(5,4-D)PYRIMIDINE-2,6-DIYL)DINITRILO)TETRAKIS(ETHANOL)

Systematic Name

English

Code System Code Type Description

PUBCHEM

9916871

Created by admin on Sat Dec 16 09:57:49 GMT 2023 , Edited by admin on Sat Dec 16 09:57:49 GMT 2023

PRIMARY

FDA UNII

9NR6JP5JPE

Created by admin on Sat Dec 16 09:57:49 GMT 2023 , Edited by admin on Sat Dec 16 09:57:49 GMT 2023

PRIMARY

CAS

213839-95-3

Created by admin on Sat Dec 16 09:57:49 GMT 2023 , Edited by admin on Sat Dec 16 09:57:49 GMT 2023

PRIMARY

Related Record Type Details


					9NR6JP5JPE

2-((6-(BIS(2-HYDROXYETHYL)AMINO)-4,8-BIS((((4-METHOXYPHENYL)METHYL)AMINO))-(1,3)DIAZINO(5,4-D)PYRIMIDIN-2-YL)(2-HYDROXYETHYL)AMINO)ETHAN-1-OL

ACTIVE MOIETY