8-[1,3-bis(oxidanylidene)-1,3-diphenyl-propan-2-yl]sulfanyl-1,3-dimethyl-7H-purine-2,6-dione

Systemtic Name: 8-[1,3-bis(oxidanylidene)-1,3-diphenyl-propan-2-yl]sulfanyl-1,3-dimethyl-7H-purine-2,6-dione Openeye Name: 8-(1-benzoyl-2-oxo-2-phenyl-ethyl)sulfanyl-1,3-dimethyl-7H-purine-2,6-dione CAS Name: 8-[(1,3-dioxo-1,3-diphenylpropan-2-yl)thio]-1,3-dimethyl-7H-purine-2,6-dione IUPAC Name: 8-(1,3-dioxo-1,3-diphenylpropan-2-yl)sulfanyl-1,3-dimethyl-7H-purine-2,6-dione Traditional Name: 8-[(1-benzoyl-2-keto-2-phenyl-ethyl)thio]-1,3-dimethyl-7H-purine-2,6-quinone Formula: C22H18N4O4S MolecularWeight: 434.46772

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)SC(C(=O)C3=CC=CC=C3)C(=O)C4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)SC(C(=O)C3=CC=CC=C3)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H18N4O4S/c1-25-19-15(20(29)26(2)22(25)30)23-21(24-19)31-18(16(27)13-9-5-3-6-10-13)17(28)14-11-7-4-8-12-14/h3-12,18H,1-2H3,(H,23,24)