2-[3,7-dimethyl-1-[(4-methylphenyl)methyl]-2,6-bis(oxidanylidene)purin-8-yl]sulfanyl-N-methyl-ethanamide

Systemtic Name: 2-[3,7-dimethyl-1-[(4-methylphenyl)methyl]-2,6-bis(oxidanylidene)purin-8-yl]sulfanyl-N-methyl-ethanamide Openeye Name: 2-[3,7-dimethyl-2,6-dioxo-1-(p-tolylmethyl)purin-8-yl]sulfanyl-N-methyl-acetamide CAS Name: 2-[[3,7-dimethyl-1-[(4-methylphenyl)methyl]-2,6-dioxo-8-purinyl]thio]-N-methylacetamide IUPAC Name: 2-[3,7-dimethyl-1-[(4-methylphenyl)methyl]-2,6-dioxopurin-8-yl]sulfanyl-N-methylacetamide Traditional Name: 2-[[2,6-diketo-3,7-dimethyl-1-(4-methylbenzyl)purin-8-yl]thio]-N-methyl-acetamide Formula: C18H21N5O3S MolecularWeight: 387.45604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=O)C3=C(N=C(N3C)SCC(=O)NC)N(C2=O)C

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=O)C3=C(N=C(N3C)SCC(=O)NC)N(C2=O)C

InChI

InChI=1S/C18H21N5O3S/c1-11-5-7-12(8-6-11)9-23-16(25)14-15(22(4)18(23)26)20-17(21(14)3)27-10-13(24)19-2/h5-8H,9-10H2,1-4H3,(H,19,24)