4-((4-((3-CHLORO-4-METHOXYBENZYL)AMINO)-5-((PYRIMIDIN-2-YLMETHYL)CARBAMOYL)PYRIMIDIN-2-YL)AMINO)-5-HYDROXYPENTANOIC ACID

Details

Stereochemistry	RACEMIC
Molecular Formula	C23H26ClN7O5
Molecular Weight	515.949
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 4-((4-((3-CHLORO-4-METHOXYBENZYL)AMINO)-5-((PYRIMIDIN-2-YLMETHYL)CARBAMOYL)PYRIMIDIN-2-YL)AMINO)-5-HYDROXYPENTANOIC ACID

Structure Search

SMILES

COC1=C(Cl)C=C(CNC2=NC(NC(CO)CCC(O)=O)=NC=C2C(=O)NCC3=NC=CC=N3)C=C1

InChI

InChIKey=PRFBRQCNRFBCHL-UHFFFAOYSA-N

InChI=1S/C23H26ClN7O5/c1-36-18-5-3-14(9-17(18)24)10-27-21-16(22(35)28-12-19-25-7-2-8-26-19)11-29-23(31-21)30-15(13-32)4-6-20(33)34/h2-3,5,7-9,11,15,32H,4,6,10,12-13H2,1H3,(H,28,35)(H,33,34)(H2,27,29,30,31)

HIDE SMILES / InChI

Approval Year

Name

Type

Language

AVANAFIL METABOLITE M16

Preferred Name

English

4-((4-((3-CHLORO-4-METHOXYBENZYL)AMINO)-5-((PYRIMIDIN-2-YLMETHYL)CARBAMOYL)PYRIMIDIN-2-YL)AMINO)-5-HYDROXYPENTANOIC ACID

Systematic Name

English

Code System Code Type Description

FDA UNII

2W6HE7B39T

Created by admin on Mon Mar 31 22:56:16 GMT 2025 , Edited by admin on Mon Mar 31 22:56:16 GMT 2025

PRIMARY

PUBCHEM

129012003

Created by admin on Mon Mar 31 22:56:16 GMT 2025 , Edited by admin on Mon Mar 31 22:56:16 GMT 2025

PRIMARY

PARENT (METABOLITE INACTIVE)


					DR5S136IVO

AVANAFIL

SUBSTANCE RECORD


					2W6HE7B39T

4-((4-((3-CHLORO-4-METHOXYBENZYL)AMINO)-5-((PYRIMIDIN-2-YLMETHYL)CARBAMOYL)PYRIMIDIN-2-YL)AMINO)-5-HYDROXYPENTANOIC ACID