1-butyl-7-(1,5-dimethylpyrazol-4-yl)-2-sulfanylidene-5-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4-one

Systemtic Name: 1-butyl-7-(1,5-dimethylpyrazol-4-yl)-2-sulfanylidene-5-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4-one Openeye Name: 1-butyl-7-(1,5-dimethylpyrazol-4-yl)-2-thioxo-5-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4-one CAS Name: 1-butyl-7-(1,5-dimethyl-4-pyrazolyl)-2-sulfanylidene-5-(trifluoromethyl)-4-pyrido[2,3-d]pyrimidinone IUPAC Name: 1-butyl-7-(1,5-dimethylpyrazol-4-yl)-2-sulfanylidene-5-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4-one Traditional Name: 1-butyl-7-(1,5-dimethylpyrazol-4-yl)-2-thioxo-5-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4-one Formula: C17H18F3N5OS MolecularWeight: 397.41793

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=CC(=N2)C3=C(N(N=C3)C)C)C(F)(F)F)C(=O)NC1=S

Isomeric SMILES

CCCCN1C2=C(C(=CC(=N2)C3=C(N(N=C3)C)C)C(F)(F)F)C(=O)NC1=S

InChI

InChI=1S/C17H18F3N5OS/c1-4-5-6-25-14-13(15(26)23-16(25)27)11(17(18,19)20)7-12(22-14)10-8-21-24(3)9(10)2/h7-8H,4-6H2,1-3H3,(H,23,26,27)