3-butyl-8-[[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]methyl]-1-(phenylmethyl)-7H-purine-2,6-dione

Systemtic Name: 3-butyl-8-[[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]methyl]-1-(phenylmethyl)-7H-purine-2,6-dione Openeye Name: 1-benzyl-3-butyl-8-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-7H-purine-2,6-dione CAS Name: 3-butyl-8-[[4-(2-oxo-1-pyrrolidinyl)phenyl]methyl]-1-(phenylmethyl)-7H-purine-2,6-dione IUPAC Name: 1-benzyl-3-butyl-8-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-7H-purine-2,6-dione Traditional Name: 1-benzyl-3-butyl-8-[4-(2-ketopyrrolidino)benzyl]-7H-purine-2,6-quinone Formula: C27H29N5O3 MolecularWeight: 471.55086

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)N(C1=O)CC3=CC=CC=C3)NC(=N2)CC4=CC=C(C=C4)N5CCCC5=O

Isomeric SMILES

CCCCN1C2=C(C(=O)N(C1=O)CC3=CC=CC=C3)NC(=N2)CC4=CC=C(C=C4)N5CCCC5=O

InChI

InChI=1S/C27H29N5O3/c1-2-3-15-31-25-24(26(34)32(27(31)35)18-20-8-5-4-6-9-20)28-22(29-25)17-19-11-13-21(14-12-19)30-16-7-10-23(30)33/h4-6,8-9,11-14H,2-3,7,10,15-18H2,1H3,(H,28,29)