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

Systemtic Name: 2-[7-ethyl-2,6-bis(oxidanylidene)-3-(phenylmethyl)purin-1-yl]-N-(2-ethyl-6-methyl-phenyl)ethanamide Openeye Name: 2-(3-benzyl-7-ethyl-2,6-dioxo-purin-1-yl)-N-(2-ethyl-6-methyl-phenyl)acetamide CAS Name: 2-[7-ethyl-2,6-dioxo-3-(phenylmethyl)-1-purinyl]-N-(2-ethyl-6-methylphenyl)acetamide IUPAC Name: 2-(3-benzyl-7-ethyl-2,6-dioxopurin-1-yl)-N-(2-ethyl-6-methylphenyl)acetamide Traditional Name: 2-(3-benzyl-7-ethyl-2,6-diketo-purin-1-yl)-N-(2-ethyl-6-methyl-phenyl)acetamide Formula: C25H27N5O3 MolecularWeight: 445.51358

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)CN2C(=O)C3=C(N=CN3CC)N(C2=O)CC4=CC=CC=C4)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)CN2C(=O)C3=C(N=CN3CC)N(C2=O)CC4=CC=CC=C4)C

InChI

InChI=1S/C25H27N5O3/c1-4-19-13-9-10-17(3)21(19)27-20(31)15-30-24(32)22-23(26-16-28(22)5-2)29(25(30)33)14-18-11-7-6-8-12-18/h6-13,16H,4-5,14-15H2,1-3H3,(H,27,31)