7-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]-3-methyl-8-sulfanylidene-9H-purine-2,6-dione

Systemtic Name: 7-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]-3-methyl-8-sulfanylidene-9H-purine-2,6-dione Openeye Name: 7-[2-(4-chlorophenyl)-2-oxo-ethyl]-3-methyl-8-thioxo-9H-purine-2,6-dione CAS Name: 7-[2-(4-chlorophenyl)-2-oxoethyl]-3-methyl-8-sulfanylidene-9H-purine-2,6-dione IUPAC Name: 7-[2-(4-chlorophenyl)-2-oxoethyl]-3-methyl-8-sulfanylidene-9H-purine-2,6-dione Traditional Name: 7-[2-(4-chlorophenyl)-2-keto-ethyl]-3-methyl-8-thioxo-9H-purine-2,6-quinone Formula: C14H11ClN4O3S MolecularWeight: 350.78014

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=S)N2)CC(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=S)N2)CC(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C14H11ClN4O3S/c1-18-11-10(12(21)17-13(18)22)19(14(23)16-11)6-9(20)7-2-4-8(15)5-3-7/h2-5H,6H2,1H3,(H,16,23)(H,17,21,22)