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

Systemtic Name: 2-[2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate Openeye Name: 2-[2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)amino]-2-oxo-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate CAS Name: 2-[[2-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)amino]-2-oxoethyl]thio]-6-propyl-4-pyrimidinolate IUPAC Name: 2-[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl]sulfanyl-6-propylpyrimidin-4-olate Traditional Name: 2-[[2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)amino]-2-keto-ethyl]thio]-6-propyl-pyrimidin-4-olate Formula: C20H22N5O2S- MolecularWeight: 396.48598

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC(=N1)SCC(=O)NC2=C(N(N=C2C)C3=CC=CC=C3)C)[O-]

Isomeric SMILES

CCCC1=CC(=NC(=N1)SCC(=O)NC2=C(N(N=C2C)C3=CC=CC=C3)C)[O-]

InChI

InChI=1S/C20H23N5O2S/c1-4-8-15-11-17(26)23-20(21-15)28-12-18(27)22-19-13(2)24-25(14(19)3)16-9-6-5-7-10-16/h5-7,9-11H,4,8,12H2,1-3H3,(H,22,27)(H,21,23,26)/p-1