3-[3,7-dibutyl-2,6-bis(oxidanylidene)purin-8-yl]-N-(3-methylphenyl)propanamide

Systemtic Name: 3-[3,7-dibutyl-2,6-bis(oxidanylidene)purin-8-yl]-N-(3-methylphenyl)propanamide Openeye Name: 3-(3,7-dibutyl-2,6-dioxo-purin-8-yl)-N-(m-tolyl)propanamide CAS Name: 3-(3,7-dibutyl-2,6-dioxo-8-purinyl)-N-(3-methylphenyl)propanamide IUPAC Name: 3-(3,7-dibutyl-2,6-dioxopurin-8-yl)-N-(3-methylphenyl)propanamide Traditional Name: 3-(3,7-dibutyl-2,6-diketo-purin-8-yl)-N-(m-tolyl)propionamide Formula: C23H31N5O3 MolecularWeight: 425.52394

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NC2=C1C(=O)NC(=O)N2CCCC)CCC(=O)NC3=CC=CC(=C3)C

Isomeric SMILES

CCCCN1C(=NC2=C1C(=O)NC(=O)N2CCCC)CCC(=O)NC3=CC=CC(=C3)C

InChI

InChI=1S/C23H31N5O3/c1-4-6-13-27-18(11-12-19(29)24-17-10-8-9-16(3)15-17)25-21-20(27)22(30)26-23(31)28(21)14-7-5-2/h8-10,15H,4-7,11-14H2,1-3H3,(H,24,29)(H,26,30,31)