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Details

Stereochemistry ABSOLUTE
Molecular Formula C23H25ClN8O4
Molecular Weight 512.949
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-nitroso-avanafil

SMILES

COC1=C(Cl)C=C(CN(N=O)C2=NC(=NC=C2C(=O)NCC3=NC=CC=N3)N4CCC[C@H]4CO)C=C1

InChI

InChIKey=PDVBPTRNSBYEIA-INIZCTEOSA-N
InChI=1S/C23H25ClN8O4/c1-36-19-6-5-15(10-18(19)24)13-32(30-35)21-17(22(34)27-12-20-25-7-3-8-26-20)11-28-23(29-21)31-9-2-4-16(31)14-33/h3,5-8,10-11,16,33H,2,4,9,12-14H2,1H3,(H,27,34)/t16-/m0/s1

HIDE SMILES / InChI

Molecular Formula C23H25ClN8O4
Molecular Weight 512.949
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 18:23:01 GMT 2025
Edited
by admin
on Wed Apr 02 18:23:01 GMT 2025
Record UNII
EPZ2CNK26V
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-nitroso-avanafil
Common Name English
5-Pyrimidinecarboxamide, 4-[[(3-chloro-4-methoxyphenyl)methyl]nitrosoamino]-2-[(2S)-2-(hydroxymethyl)-1-pyrrolidinyl]-N-(2-pyrimidinylmethyl)-
Preferred Name English
Code System Code Type Description
FDA UNII
EPZ2CNK26V
Created by admin on Wed Apr 02 18:23:01 GMT 2025 , Edited by admin on Wed Apr 02 18:23:01 GMT 2025
PRIMARY
CAS
3050754-67-8
Created by admin on Wed Apr 02 18:23:01 GMT 2025 , Edited by admin on Wed Apr 02 18:23:01 GMT 2025
PRIMARY
Related Record Type Details
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