2-AMINO-4-((3-CHLORO-4-METHOXYBENZYL)AMINO)-N-(PYRIMIDIN-2-YLMETHYL)PYRIMIDINE-5-CARBOXAMIDE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C18H18ClN7O2
Molecular Weight	399.834
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2-AMINO-4-((3-CHLORO-4-METHOXYBENZYL)AMINO)-N-(PYRIMIDIN-2-YLMETHYL)PYRIMIDINE-5-CARBOXAMIDE

Structure Search

SMILES

COC1=CC=C(CNC2=C(C=NC(N)=N2)C(=O)NCC3=NC=CC=N3)C=C1Cl

InChI

InChIKey=XURBBPPSWQKQNM-UHFFFAOYSA-N

InChI=1S/C18H18ClN7O2/c1-28-14-4-3-11(7-13(14)19)8-23-16-12(9-25-18(20)26-16)17(27)24-10-15-21-5-2-6-22-15/h2-7,9H,8,10H2,1H3,(H,24,27)(H3,20,23,25,26)

HIDE SMILES / InChI

Molecular Formula	C18H18ClN7O2
Molecular Weight	399.834
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 10:07:40 UTC 2023` Edited by `admin` on `Sat Dec 16 10:07:40 UTC 2023`
Record UNII	BDK8LTW9HG
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2-AMINO-4-((3-CHLORO-4-METHOXYBENZYL)AMINO)-N-(PYRIMIDIN-2-YLMETHYL)PYRIMIDINE-5-CARBOXAMIDE

Systematic Name

English

AVANAFIL METABOLITE M27

Common Name

English

Code System Code Type Description

PUBCHEM

155929106

Created by admin on Sat Dec 16 10:07:40 UTC 2023 , Edited by admin on Sat Dec 16 10:07:40 UTC 2023

PRIMARY

FDA UNII

BDK8LTW9HG

Created by admin on Sat Dec 16 10:07:40 UTC 2023 , Edited by admin on Sat Dec 16 10:07:40 UTC 2023

PRIMARY

Related Record Type Details


					DR5S136IVO

AVANAFIL

PARENT -> METABOLITE

Qualification:

PLASMA