1-butyl-3-[[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]methyl]-7H-purine-2,6-dione

Systemtic Name: 1-butyl-3-[[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]methyl]-7H-purine-2,6-dione Openeye Name: 1-butyl-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-7H-purine-2,6-dione CAS Name: 1-butyl-3-[[4-(2-oxo-1-pyrrolidinyl)phenyl]methyl]-7H-purine-2,6-dione IUPAC Name: 1-butyl-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-7H-purine-2,6-dione Traditional Name: 1-butyl-3-[4-(2-ketopyrrolidino)benzyl]-7H-purine-2,6-quinone Formula: C20H23N5O3 MolecularWeight: 381.42832

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(N=CN2)N(C1=O)CC3=CC=C(C=C3)N4CCCC4=O

Isomeric SMILES

CCCCN1C(=O)C2=C(N=CN2)N(C1=O)CC3=CC=C(C=C3)N4CCCC4=O

InChI

InChI=1S/C20H23N5O3/c1-2-3-10-24-19(27)17-18(22-13-21-17)25(20(24)28)12-14-6-8-15(9-7-14)23-11-4-5-16(23)26/h6-9,13H,2-5,10-12H2,1H3,(H,21,22)