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

Systemtic Name: 2-[2-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-methyl-5-(phenylmethyl)pyrimidin-4-olate Openeye Name: 5-benzyl-2-[2-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)amino]-2-oxo-ethyl]sulfanyl-6-methyl-pyrimidin-4-olate CAS Name: 2-[[2-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)amino]-2-oxoethyl]thio]-6-methyl-5-(phenylmethyl)-4-pyrimidinolate IUPAC Name: 5-benzyl-2-[2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxoethyl]sulfanyl-6-methylpyrimidin-4-olate Traditional Name: 5-benzyl-2-[[2-keto-2-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)amino]ethyl]thio]-6-methyl-pyrimidin-4-olate Formula: C25H24N5O3S- MolecularWeight: 474.55476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SCC(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)[O-])CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=NC(=N1)SCC(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)[O-])CC4=CC=CC=C4

InChI

InChI=1S/C25H25N5O3S/c1-16-20(14-18-10-6-4-7-11-18)23(32)28-25(26-16)34-15-21(31)27-22-17(2)29(3)30(24(22)33)19-12-8-5-9-13-19/h4-13H,14-15H2,1-3H3,(H,27,31)(H,26,28,32)/p-1