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

Systemtic Name: N-(2-methylphenyl)-2-[7-(2-methylpropyl)-2,6-bis(oxidanylidene)-3-pentyl-purin-1-yl]ethanamide Openeye Name: 2-(7-isobutyl-2,6-dioxo-3-pentyl-purin-1-yl)-N-(o-tolyl)acetamide CAS Name: N-(2-methylphenyl)-2-[7-(2-methylpropyl)-2,6-dioxo-3-pentyl-1-purinyl]acetamide IUPAC Name: N-(2-methylphenyl)-2-[7-(2-methylpropyl)-2,6-dioxo-3-pentylpurin-1-yl]acetamide Traditional Name: 2-(3-amyl-7-isobutyl-2,6-diketo-purin-1-yl)-N-(o-tolyl)acetamide Formula: C23H31N5O3 MolecularWeight: 425.52394

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C2=C(C(=O)N(C1=O)CC(=O)NC3=CC=CC=C3C)N(C=N2)CC(C)C

Isomeric SMILES

CCCCCN1C2=C(C(=O)N(C1=O)CC(=O)NC3=CC=CC=C3C)N(C=N2)CC(C)C

InChI

InChI=1S/C23H31N5O3/c1-5-6-9-12-27-21-20(26(15-24-21)13-16(2)3)22(30)28(23(27)31)14-19(29)25-18-11-8-7-10-17(18)4/h7-8,10-11,15-16H,5-6,9,12-14H2,1-4H3,(H,25,29)