3-[3-butyl-7-(2-methylpropyl)-2,6-bis(oxidanylidene)purin-8-yl]-N-quinolin-2-yl-propanamide

Systemtic Name: 3-[3-butyl-7-(2-methylpropyl)-2,6-bis(oxidanylidene)purin-8-yl]-N-quinolin-2-yl-propanamide Openeye Name: 3-(3-butyl-7-isobutyl-2,6-dioxo-purin-8-yl)-N-(2-quinolyl)propanamide CAS Name: 3-[3-butyl-7-(2-methylpropyl)-2,6-dioxo-8-purinyl]-N-(2-quinolinyl)propanamide IUPAC Name: 3-[3-butyl-7-(2-methylpropyl)-2,6-dioxopurin-8-yl]-N-quinolin-2-ylpropanamide Traditional Name: 3-(3-butyl-7-isobutyl-2,6-diketo-purin-8-yl)-N-(2-quinolyl)propionamide Formula: C25H30N6O3 MolecularWeight: 462.5441

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CCC(=O)NC3=NC4=CC=CC=C4C=C3)CC(C)C

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CCC(=O)NC3=NC4=CC=CC=C4C=C3)CC(C)C

InChI

InChI=1S/C25H30N6O3/c1-4-5-14-30-23-22(24(33)29-25(30)34)31(15-16(2)3)20(28-23)12-13-21(32)27-19-11-10-17-8-6-7-9-18(17)26-19/h6-11,16H,4-5,12-15H2,1-3H3,(H,26,27,32)(H,29,33,34)