2-[7-(3-methylbutyl)-2,6-bis(oxidanylidene)-3-(phenylmethyl)purin-1-yl]-N-(4-methylphenyl)ethanamide

Systemtic Name: 2-[7-(3-methylbutyl)-2,6-bis(oxidanylidene)-3-(phenylmethyl)purin-1-yl]-N-(4-methylphenyl)ethanamide Openeye Name: 2-(3-benzyl-7-isopentyl-2,6-dioxo-purin-1-yl)-N-(p-tolyl)acetamide CAS Name: 2-[7-(3-methylbutyl)-2,6-dioxo-3-(phenylmethyl)-1-purinyl]-N-(4-methylphenyl)acetamide IUPAC Name: 2-[3-benzyl-7-(3-methylbutyl)-2,6-dioxopurin-1-yl]-N-(4-methylphenyl)acetamide Traditional Name: 2-(3-benzyl-7-isoamyl-2,6-diketo-purin-1-yl)-N-(p-tolyl)acetamide Formula: C26H29N5O3 MolecularWeight: 459.54016

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CN2C(=O)C3=C(N=CN3CCC(C)C)N(C2=O)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CN2C(=O)C3=C(N=CN3CCC(C)C)N(C2=O)CC4=CC=CC=C4

InChI

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