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

Systemtic Name: 1,3-dimethyl-8-[(1R)-2-oxidanylidene-1,2-diphenyl-ethyl]sulfanyl-7H-purine-2,6-dione Openeye Name: 1,3-dimethyl-8-[(1R)-2-oxo-1,2-diphenyl-ethyl]sulfanyl-7H-purine-2,6-dione CAS Name: 1,3-dimethyl-8-[[(1R)-2-oxo-1,2-diphenylethyl]thio]-7H-purine-2,6-dione IUPAC Name: 1,3-dimethyl-8-[(1R)-2-oxo-1,2-diphenylethyl]sulfanyl-7H-purine-2,6-dione Traditional Name: 8-[[(1R)-2-keto-1,2-diphenyl-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)SC(C3=CC=CC=C3)C(=O)C4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)S[C@H](C3=CC=CC=C3)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H18N4O3S/c1-24-18-15(19(27)25(2)21(24)28)22-20(23-18)29-17(14-11-7-4-8-12-14)16(26)13-9-5-3-6-10-13/h3-12,17H,1-2H3,(H,22,23)/t17-/m1/s1