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

Systemtic Name: 3-[3,7-dibutyl-2,6-bis(oxidanylidene)purin-8-yl]-N-[(2-methylphenyl)methyl]propanamide Openeye Name: 3-(3,7-dibutyl-2,6-dioxo-purin-8-yl)-N-(o-tolylmethyl)propanamide CAS Name: 3-(3,7-dibutyl-2,6-dioxo-8-purinyl)-N-[(2-methylphenyl)methyl]propanamide IUPAC Name: 3-(3,7-dibutyl-2,6-dioxopurin-8-yl)-N-[(2-methylphenyl)methyl]propanamide Traditional Name: 3-(3,7-dibutyl-2,6-diketo-purin-8-yl)-N-(2-methylbenzyl)propionamide Formula: C24H33N5O3 MolecularWeight: 439.55052

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NC2=C1C(=O)NC(=O)N2CCCC)CCC(=O)NCC3=CC=CC=C3C

Isomeric SMILES

CCCCN1C(=NC2=C1C(=O)NC(=O)N2CCCC)CCC(=O)NCC3=CC=CC=C3C

InChI

InChI=1S/C24H33N5O3/c1-4-6-14-28-19(12-13-20(30)25-16-18-11-9-8-10-17(18)3)26-22-21(28)23(31)27-24(32)29(22)15-7-5-2/h8-11H,4-7,12-16H2,1-3H3,(H,25,30)(H,27,31,32)