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

Systemtic Name: 2-[3,7-dibutyl-2,6-bis(oxidanylidene)purin-1-yl]-N-methyl-N-phenyl-ethanamide Openeye Name: 2-(3,7-dibutyl-2,6-dioxo-purin-1-yl)-N-methyl-N-phenyl-acetamide CAS Name: 2-(3,7-dibutyl-2,6-dioxo-1-purinyl)-N-methyl-N-phenylacetamide IUPAC Name: 2-(3,7-dibutyl-2,6-dioxopurin-1-yl)-N-methyl-N-phenylacetamide Traditional Name: 2-(3,7-dibutyl-2,6-diketo-purin-1-yl)-N-methyl-N-phenyl-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)N(C)C3=CC=CC=C3

Isomeric SMILES

CCCCN1C=NC2=C1C(=O)N(C(=O)N2CCCC)CC(=O)N(C)C3=CC=CC=C3

InChI

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