2-[1,3,9-trimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanylbenzoic acid

Systemtic Name: 2-[1,3,9-trimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanylbenzoic acid Openeye Name: 2-(1,3,9-trimethyl-2,6-dioxo-purin-8-yl)sulfanylbenzoic acid CAS Name: 2-[(1,3,9-trimethyl-2,6-dioxo-8-purinyl)thio]benzoic acid IUPAC Name: 2-(1,3,9-trimethyl-2,6-dioxopurin-8-yl)sulfanylbenzoic acid Traditional Name: 2-[(2,6-diketo-1,3,9-trimethyl-purin-8-yl)thio]benzoic acid Formula: C15H14N4O4S MolecularWeight: 346.36106

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C(=O)N2C)C)N=C1SC3=CC=CC=C3C(=O)O

Isomeric SMILES

CN1C2=C(C(=O)N(C(=O)N2C)C)N=C1SC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C15H14N4O4S/c1-17-11-10(12(20)19(3)15(23)18(11)2)16-14(17)24-9-7-5-4-6-8(9)13(21)22/h4-7H,1-3H3,(H,21,22)