1,3-dimethyl-6-[[2-oxidanylidene-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]sulfanylmethyl]pyrimidine-2,4-dione

Systemtic Name: 1,3-dimethyl-6-[[2-oxidanylidene-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]sulfanylmethyl]pyrimidine-2,4-dione Openeye Name: 1,3-dimethyl-6-[[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]sulfanylmethyl]pyrimidine-2,4-dione CAS Name: 1,3-dimethyl-6-[[[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]thio]methyl]pyrimidine-2,4-dione IUPAC Name: 1,3-dimethyl-6-[[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]sulfanylmethyl]pyrimidine-2,4-dione Traditional Name: 6-[[[2-keto-2-(3-phenyl-2-pyrazolin-1-yl)ethyl]thio]methyl]-1,3-dimethyl-pyrimidine-2,4-quinone Formula: C18H20N4O3S MolecularWeight: 372.4414

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=O)N(C1=O)C)CSCC(=O)N2CCC(=N2)C3=CC=CC=C3

Isomeric SMILES

CN1C(=CC(=O)N(C1=O)C)CSCC(=O)N2CCC(=N2)C3=CC=CC=C3

InChI

InChI=1S/C18H20N4O3S/c1-20-14(10-16(23)21(2)18(20)25)11-26-12-17(24)22-9-8-15(19-22)13-6-4-3-5-7-13/h3-7,10H,8-9,11-12H2,1-2H3