2-[1,3-dimethyl-7-[(2-methylphenyl)methyl]-2,6-bis(oxidanylidene)purin-8-yl]sulfanylethanenitrile

Systemtic Name: 2-[1,3-dimethyl-7-[(2-methylphenyl)methyl]-2,6-bis(oxidanylidene)purin-8-yl]sulfanylethanenitrile Openeye Name: 2-[1,3-dimethyl-7-(o-tolylmethyl)-2,6-dioxo-purin-8-yl]sulfanylacetonitrile CAS Name: 2-[[1,3-dimethyl-7-[(2-methylphenyl)methyl]-2,6-dioxo-8-purinyl]thio]acetonitrile IUPAC Name: 2-[1,3-dimethyl-7-[(2-methylphenyl)methyl]-2,6-dioxopurin-8-yl]sulfanylacetonitrile Traditional Name: 2-[[2,6-diketo-1,3-dimethyl-7-(2-methylbenzyl)purin-8-yl]thio]acetonitrile Formula: C17H17N5O2S MolecularWeight: 355.41418

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2C3=C(N=C2SCC#N)N(C(=O)N(C3=O)C)C

Isomeric SMILES

CC1=CC=CC=C1CN2C3=C(N=C2SCC#N)N(C(=O)N(C3=O)C)C

InChI

InChI=1S/C17H17N5O2S/c1-11-6-4-5-7-12(11)10-22-13-14(19-16(22)25-9-8-18)20(2)17(24)21(3)15(13)23/h4-7H,9-10H2,1-3H3