2-[3-methyl-7-[(3-methylphenyl)methyl]-2,6-bis(oxidanylidene)purin-8-yl]sulfanyl-N-phenyl-ethanamide

Systemtic Name: 2-[3-methyl-7-[(3-methylphenyl)methyl]-2,6-bis(oxidanylidene)purin-8-yl]sulfanyl-N-phenyl-ethanamide Openeye Name: 2-[3-methyl-7-(m-tolylmethyl)-2,6-dioxo-purin-8-yl]sulfanyl-N-phenyl-acetamide CAS Name: 2-[[3-methyl-7-[(3-methylphenyl)methyl]-2,6-dioxo-8-purinyl]thio]-N-phenylacetamide IUPAC Name: 2-[3-methyl-7-[(3-methylphenyl)methyl]-2,6-dioxopurin-8-yl]sulfanyl-N-phenylacetamide Traditional Name: 2-[[2,6-diketo-3-methyl-7-(3-methylbenzyl)purin-8-yl]thio]-N-phenyl-acetamide Formula: C22H21N5O3S MolecularWeight: 435.49884

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2C3=C(N=C2SCC(=O)NC4=CC=CC=C4)N(C(=O)NC3=O)C

Isomeric SMILES

CC1=CC(=CC=C1)CN2C3=C(N=C2SCC(=O)NC4=CC=CC=C4)N(C(=O)NC3=O)C

InChI

InChI=1S/C22H21N5O3S/c1-14-7-6-8-15(11-14)12-27-18-19(26(2)21(30)25-20(18)29)24-22(27)31-13-17(28)23-16-9-4-3-5-10-16/h3-11H,12-13H2,1-2H3,(H,23,28)(H,25,29,30)