S-[[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]methyl] 4-methylbenzenecarbothioate

Systemtic Name: S-[[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]methyl] 4-methylbenzenecarbothioate Openeye Name: S-[(1,3-dimethyl-2,6-dioxo-purin-7-yl)methyl] 4-methylbenzenecarbothioate CAS Name: 4-methylbenzenecarbothioic acid S-[(1,3-dimethyl-2,6-dioxo-7-purinyl)methyl] ester IUPAC Name: S-[(1,3-dimethyl-2,6-dioxopurin-7-yl)methyl] 4-methylbenzenecarbothioate Traditional Name: 4-methylthiobenzoic acid S-[(2,6-diketo-1,3-dimethyl-purin-7-yl)methyl] ester Formula: C16H16N4O3S MolecularWeight: 344.38824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)SCN2C=NC3=C2C(=O)N(C(=O)N3C)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)SCN2C=NC3=C2C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C16H16N4O3S/c1-10-4-6-11(7-5-10)15(22)24-9-20-8-17-13-12(20)14(21)19(3)16(23)18(13)2/h4-8H,9H2,1-3H3