4-(((4-(1,4,5,6-TETRAHYDRO-2-PYRIMIDINYL)ANILINO)CARBONYL)AMINO)-N-(4-(1,4,5,6-TETRAHYDRO-2-PYRIMIDINYL)PHENYL)BENZAMIDE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C28H29N7O2.2ClH
Molecular Weight	568.497
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 4-(((4-(1,4,5,6-TETRAHYDRO-2-PYRIMIDINYL)ANILINO)CARBONYL)AMINO)-N-(4-(1,4,5,6-TETRAHYDRO-2-PYRIMIDINYL)PHENYL)BENZAMIDE

Structure Search

SMILES

Cl.Cl.O=C(NC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)C3=NCCCN3)NC4=CC=C(C=C4)C5=NCCCN5

InChI

InChIKey=WQSHREPOJMEXPI-UHFFFAOYSA-N

InChI=1S/C28H29N7O2.2ClH/c36-27(33-22-9-3-19(4-10-22)25-29-15-1-16-30-25)21-7-13-24(14-8-21)35-28(37)34-23-11-5-20(6-12-23)26-31-17-2-18-32-26;;/h3-14H,1-2,15-18H2,(H,29,30)(H,31,32)(H,33,36)(H2,34,35,37);2*1H

HIDE SMILES / InChI

Molecular Formula	C28H29N7O2
Molecular Weight	495.5756
Charge	0
Count

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

Molecular Formula	ClH
Molecular Weight	36.461
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 12:53:16 GMT 2023` Edited by `admin` on `Sat Dec 16 12:53:16 GMT 2023`
Record UNII	HN3WGC11A7
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

4-(((4-(1,4,5,6-TETRAHYDRO-2-PYRIMIDINYL)ANILINO)CARBONYL)AMINO)-N-(4-(1,4,5,6-TETRAHYDRO-2-PYRIMIDINYL)PHENYL)BENZAMIDE

Systematic Name

English

NSC-67736

Code

English

CARBANILIDE, 4-(1,4,5,6-TETRAHYDRO-2-PYRIMIDINYL)-4'-((P-(1,4,5,6-TETRAHYDRO-2-PYRIMIDINYL)PHENYL)CARBAMOYL)-, DIHYDROCHLORIDE

Systematic Name

English

Code System Code Type Description

FDA UNII

HN3WGC11A7