2-[3,7-dibutyl-2,6-bis(oxidanylidene)purin-1-yl]-N-(2-methylphenyl)ethanamide

Systemtic Name: 2-[3,7-dibutyl-2,6-bis(oxidanylidene)purin-1-yl]-N-(2-methylphenyl)ethanamide Openeye Name: 2-(3,7-dibutyl-2,6-dioxo-purin-1-yl)-N-(o-tolyl)acetamide CAS Name: 2-(3,7-dibutyl-2,6-dioxo-1-purinyl)-N-(2-methylphenyl)acetamide IUPAC Name: 2-(3,7-dibutyl-2,6-dioxopurin-1-yl)-N-(2-methylphenyl)acetamide Traditional Name: 2-(3,7-dibutyl-2,6-diketo-purin-1-yl)-N-(o-tolyl)acetamide Formula: C22H29N5O3 MolecularWeight: 411.49736

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=NC2=C1C(=O)N(C(=O)N2CCCC)CC(=O)NC3=CC=CC=C3C

Isomeric SMILES

CCCCN1C=NC2=C1C(=O)N(C(=O)N2CCCC)CC(=O)NC3=CC=CC=C3C

InChI

InChI=1S/C22H29N5O3/c1-4-6-12-25-15-23-20-19(25)21(29)27(22(30)26(20)13-7-5-2)14-18(28)24-17-11-9-8-10-16(17)3/h8-11,15H,4-7,12-14H2,1-3H3,(H,24,28)