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Details

Stereochemistry ABSOLUTE
Molecular Formula C32H41FN8O4
Molecular Weight 620.7175
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-[3-[(3S)-4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methoxyphenyl]methyl]-3-(fluoromethyl)piperazin-1-yl]-3-oxopropyl]pyrrole-2,5-dione

SMILES

CCCCCNC1=NC(N)=NC2=C1N(CC3=CC=C(CN4CCN(C[C@H]4CF)C(=O)CCN5C(=O)C=CC5=O)C=C3OC)C=C2

InChI

InChIKey=NEFVOZVMJDAAFH-XMMPIXPASA-N
InChI=1S/C32H41FN8O4/c1-3-4-5-12-35-31-30-25(36-32(34)37-31)10-13-40(30)20-23-7-6-22(17-26(23)45-2)19-38-15-16-39(21-24(38)18-33)27(42)11-14-41-28(43)8-9-29(41)44/h6-10,13,17,24H,3-5,11-12,14-16,18-21H2,1-2H3,(H3,34,35,36,37)/t24-/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
1-[3-[(3S)-4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methoxyphenyl]methyl]-3-(fluoromethyl)piperazin-1-yl]-3-oxopropyl]pyrrole-2,5-dione
Systematic Name English
1H-Pyrrole-2,5-dione, 1-[3-[(3S)-4-[[4-[[2-amino-4-(pentylamino)-5H-pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methoxyphenyl]methyl]-3-(fluoromethyl)-1-piperazinyl]-3-oxopropyl]-
Preferred Name English
Code System Code Type Description
PUBCHEM
171548711
Created by admin on Wed Apr 02 21:23:55 GMT 2025 , Edited by admin on Wed Apr 02 21:23:55 GMT 2025
PRIMARY
CAS
3037216-08-0
Created by admin on Wed Apr 02 21:23:55 GMT 2025 , Edited by admin on Wed Apr 02 21:23:55 GMT 2025
PRIMARY
FDA UNII
CZ4YZY9CUP
Created by admin on Wed Apr 02 21:23:55 GMT 2025 , Edited by admin on Wed Apr 02 21:23:55 GMT 2025
PRIMARY