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

Systemtic Name: N-methyl-2-[7-(3-methylbutyl)-2,6-bis(oxidanylidene)-3-(phenylmethyl)purin-1-yl]-N-phenyl-ethanamide Openeye Name: 2-(3-benzyl-7-isopentyl-2,6-dioxo-purin-1-yl)-N-methyl-N-phenyl-acetamide CAS Name: N-methyl-2-[7-(3-methylbutyl)-2,6-dioxo-3-(phenylmethyl)-1-purinyl]-N-phenylacetamide IUPAC Name: 2-[3-benzyl-7-(3-methylbutyl)-2,6-dioxopurin-1-yl]-N-methyl-N-phenylacetamide Traditional Name: 2-(3-benzyl-7-isoamyl-2,6-diketo-purin-1-yl)-N-methyl-N-phenyl-acetamide Formula: C26H29N5O3 MolecularWeight: 459.54016

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC(=O)N(C)C4=CC=CC=C4

Isomeric SMILES

CC(C)CCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC(=O)N(C)C4=CC=CC=C4

InChI

InChI=1S/C26H29N5O3/c1-19(2)14-15-29-18-27-24-23(29)25(33)31(17-22(32)28(3)21-12-8-5-9-13-21)26(34)30(24)16-20-10-6-4-7-11-20/h4-13,18-19H,14-17H2,1-3H3