3-[2-(3,5-dimethyl-5-oxidanyl-4H-pyrazol-1-yl)-2-oxidanylidene-ethyl]-6-methyl-2-methylsulfanyl-pyrimidin-4-one

Systemtic Name: 3-[2-(3,5-dimethyl-5-oxidanyl-4H-pyrazol-1-yl)-2-oxidanylidene-ethyl]-6-methyl-2-methylsulfanyl-pyrimidin-4-one Openeye Name: 3-[2-(5-hydroxy-3,5-dimethyl-4H-pyrazol-1-yl)-2-oxo-ethyl]-6-methyl-2-methylsulfanyl-pyrimidin-4-one CAS Name: 3-[2-(5-hydroxy-3,5-dimethyl-4H-pyrazol-1-yl)-2-oxoethyl]-6-methyl-2-(methylthio)-4-pyrimidinone IUPAC Name: 3-[2-(5-hydroxy-3,5-dimethyl-4H-pyrazol-1-yl)-2-oxoethyl]-6-methyl-2-methylsulfanylpyrimidin-4-one Traditional Name: 3-[2-(5-hydroxy-3,5-dimethyl-2-pyrazolin-1-yl)-2-keto-ethyl]-6-methyl-2-(methylthio)pyrimidin-4-one Formula: C13H18N4O3S MolecularWeight: 310.37202

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(C1)(C)O)C(=O)CN2C(=O)C=C(N=C2SC)C

Isomeric SMILES

CC1=NN(C(C1)(C)O)C(=O)CN2C(=O)C=C(N=C2SC)C

InChI

InChI=1S/C13H18N4O3S/c1-8-5-10(18)16(12(14-8)21-4)7-11(19)17-13(3,20)6-9(2)15-17/h5,20H,6-7H2,1-4H3