S-[1,3,7-trimethyl-2,6-bis(oxidanylidene)purin-8-yl] 4-methylbenzenecarbothioate

Systemtic Name: S-[1,3,7-trimethyl-2,6-bis(oxidanylidene)purin-8-yl] 4-methylbenzenecarbothioate Openeye Name: S-(1,3,7-trimethyl-2,6-dioxo-purin-8-yl) 4-methylbenzenecarbothioate CAS Name: 4-methylbenzenecarbothioic acid S-(1,3,7-trimethyl-2,6-dioxo-8-purinyl) ester IUPAC Name: S-(1,3,7-trimethyl-2,6-dioxopurin-8-yl) 4-methylbenzenecarbothioate Traditional Name: 4-methylthiobenzoic acid S-(2,6-diketo-1,3,7-trimethyl-purin-8-yl) ester Formula: C16H16N4O3S MolecularWeight: 344.38824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)SC2=NC3=C(N2C)C(=O)N(C(=O)N3C)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)SC2=NC3=C(N2C)C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C16H16N4O3S/c1-9-5-7-10(8-6-9)14(22)24-15-17-12-11(18(15)2)13(21)20(4)16(23)19(12)3/h5-8H,1-4H3