U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C23H24ClN7O6
Molecular Weight 529.933
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (4-((3-CHLORO-4-METHOXYBENZYL)AMINO)-5-((PYRIMIDIN-2-YLMETHYL)CARBAMOYL)PYRIMIDIN-2-YL)GLUTAMIC ACID

SMILES

COC1=CC=C(CNC2=C(C=NC(N[C@@H](CCC(O)=O)C(O)=O)=N2)C(=O)NCC3=NC=CC=N3)C=C1Cl

InChI

InChIKey=SBQXOJZUJAUOBD-INIZCTEOSA-N
InChI=1S/C23H24ClN7O6/c1-37-17-5-3-13(9-15(17)24)10-27-20-14(21(34)28-12-18-25-7-2-8-26-18)11-29-23(31-20)30-16(22(35)36)4-6-19(32)33/h2-3,5,7-9,11,16H,4,6,10,12H2,1H3,(H,28,34)(H,32,33)(H,35,36)(H2,27,29,30,31)/t16-/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
(4-((3-CHLORO-4-METHOXYBENZYL)AMINO)-5-((PYRIMIDIN-2-YLMETHYL)CARBAMOYL)PYRIMIDIN-2-YL)GLUTAMIC ACID
Systematic Name English
AVANAFIL METABOLITE M20
Common Name English
Code System Code Type Description
PUBCHEM
156596874
Created by admin on Sat Dec 16 09:58:24 GMT 2023 , Edited by admin on Sat Dec 16 09:58:24 GMT 2023
PRIMARY
FDA UNII
W7GN3WDD3Y
Created by admin on Sat Dec 16 09:58:24 GMT 2023 , Edited by admin on Sat Dec 16 09:58:24 GMT 2023
PRIMARY