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

Systemtic Name: S-[[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]methyl] benzenecarbothioate Openeye Name: S-[(1,3-dimethyl-2,6-dioxo-purin-7-yl)methyl] benzenecarbothioate CAS Name: benzenecarbothioic acid S-[(1,3-dimethyl-2,6-dioxo-7-purinyl)methyl] ester IUPAC Name: S-[(1,3-dimethyl-2,6-dioxopurin-7-yl)methyl] benzenecarbothioate Traditional Name: thiobenzoic acid S-[(2,6-diketo-1,3-dimethyl-purin-7-yl)methyl] ester Formula: C15H14N4O3S MolecularWeight: 330.36166

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CSC(=O)C3=CC=CC=C3

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CSC(=O)C3=CC=CC=C3

InChI

InChI=1S/C15H14N4O3S/c1-17-12-11(13(20)18(2)15(17)22)19(8-16-12)9-23-14(21)10-6-4-3-5-7-10/h3-8H,9H2,1-2H3