2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-N-[(4-methylphenyl)-thiophen-2-yl-methyl]ethanamide

Systemtic Name: 2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-N-[(4-methylphenyl)-thiophen-2-yl-methyl]ethanamide Openeye Name: 2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)-N-[p-tolyl(2-thienyl)methyl]acetamide CAS Name: 2-(1,3-dimethyl-2,6-dioxo-7-purinyl)-N-[(4-methylphenyl)-thiophen-2-ylmethyl]acetamide IUPAC Name: 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[(4-methylphenyl)-thiophen-2-ylmethyl]acetamide Traditional Name: 2-(2,6-diketo-1,3-dimethyl-purin-7-yl)-N-[p-tolyl(2-thienyl)methyl]acetamide Formula: C21H21N5O3S MolecularWeight: 423.48814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C2=CC=CS2)NC(=O)CN3C=NC4=C3C(=O)N(C(=O)N4C)C

Isomeric SMILES

CC1=CC=C(C=C1)C(C2=CC=CS2)NC(=O)CN3C=NC4=C3C(=O)N(C(=O)N4C)C

InChI

InChI=1S/C21H21N5O3S/c1-13-6-8-14(9-7-13)17(15-5-4-10-30-15)23-16(27)11-26-12-22-19-18(26)20(28)25(3)21(29)24(19)2/h4-10,12,17H,11H2,1-3H3,(H,23,27)