2-[2-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)amino]-2-oxidanylidene-ethyl]sulfanyl-5,6-dimethyl-pyrimidin-4-olate

Systemtic Name: 2-[2-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)amino]-2-oxidanylidene-ethyl]sulfanyl-5,6-dimethyl-pyrimidin-4-olate Openeye Name: 2-[2-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)amino]-2-oxo-ethyl]sulfanyl-5,6-dimethyl-pyrimidin-4-olate CAS Name: 2-[[2-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)amino]-2-oxoethyl]thio]-5,6-dimethyl-4-pyrimidinolate IUPAC Name: 2-[2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxoethyl]sulfanyl-5,6-dimethylpyrimidin-4-olate Traditional Name: 2-[[2-keto-2-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)amino]ethyl]thio]-5,6-dimethyl-pyrimidin-4-olate Formula: C19H20N5O3S- MolecularWeight: 398.4588

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N=C1[O-])SCC(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)C

Isomeric SMILES

CC1=C(N=C(N=C1[O-])SCC(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)C

InChI

InChI=1S/C19H21N5O3S/c1-11-12(2)20-19(22-17(11)26)28-10-15(25)21-16-13(3)23(4)24(18(16)27)14-8-6-5-7-9-14/h5-9H,10H2,1-4H3,(H,21,25)(H,20,22,26)/p-1