3-[3-butyl-7-(2-methylpropyl)-2,6-bis(oxidanylidene)purin-8-yl]-N-(2-methyl-4-pyrrolidin-1-yl-phenyl)propanamide

Systemtic Name: 3-[3-butyl-7-(2-methylpropyl)-2,6-bis(oxidanylidene)purin-8-yl]-N-(2-methyl-4-pyrrolidin-1-yl-phenyl)propanamide Openeye Name: 3-(3-butyl-7-isobutyl-2,6-dioxo-purin-8-yl)-N-(2-methyl-4-pyrrolidin-1-yl-phenyl)propanamide CAS Name: 3-[3-butyl-7-(2-methylpropyl)-2,6-dioxo-8-purinyl]-N-[2-methyl-4-(1-pyrrolidinyl)phenyl]propanamide IUPAC Name: 3-[3-butyl-7-(2-methylpropyl)-2,6-dioxopurin-8-yl]-N-(2-methyl-4-pyrrolidin-1-ylphenyl)propanamide Traditional Name: 3-(3-butyl-7-isobutyl-2,6-diketo-purin-8-yl)-N-(2-methyl-4-pyrrolidino-phenyl)propionamide Formula: C27H38N6O3 MolecularWeight: 494.62902

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CCC(=O)NC3=C(C=C(C=C3)N4CCCC4)C)CC(C)C

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CCC(=O)NC3=C(C=C(C=C3)N4CCCC4)C)CC(C)C

InChI

InChI=1S/C27H38N6O3/c1-5-6-15-32-25-24(26(35)30-27(32)36)33(17-18(2)3)22(29-25)11-12-23(34)28-21-10-9-20(16-19(21)4)31-13-7-8-14-31/h9-10,16,18H,5-8,11-15,17H2,1-4H3,(H,28,34)(H,30,35,36)