1,3-dimethyl-8-[2-oxidanylidene-2-(4-phenylphenyl)ethyl]sulfanyl-7H-purine-2,6-dione

Systemtic Name: 1,3-dimethyl-8-[2-oxidanylidene-2-(4-phenylphenyl)ethyl]sulfanyl-7H-purine-2,6-dione Openeye Name: 1,3-dimethyl-8-[2-oxo-2-(4-phenylphenyl)ethyl]sulfanyl-7H-purine-2,6-dione CAS Name: 1,3-dimethyl-8-[[2-oxo-2-(4-phenylphenyl)ethyl]thio]-7H-purine-2,6-dione IUPAC Name: 1,3-dimethyl-8-[2-oxo-2-(4-phenylphenyl)ethyl]sulfanyl-7H-purine-2,6-dione Traditional Name: 8-[[2-keto-2-(4-phenylphenyl)ethyl]thio]-1,3-dimethyl-7H-purine-2,6-quinone Formula: C21H18N4O3S MolecularWeight: 406.45762

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18N4O3S/c1-24-18-17(19(27)25(2)21(24)28)22-20(23-18)29-12-16(26)15-10-8-14(9-11-15)13-6-4-3-5-7-13/h3-11H,12H2,1-2H3,(H,22,23)