N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-[(4-oxidanyl-6-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]propanamide

Systemtic Name: N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-[(4-oxidanyl-6-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]propanamide Openeye Name: N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-3-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide CAS Name: N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-3-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)thio]propanamide IUPAC Name: N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide Traditional Name: 3-[(4-hydroxy-6-keto-1H-pyrimidin-2-yl)thio]-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)propionamide Formula: C18H19N5O4S MolecularWeight: 401.43956

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CCSC3=NC(=CC(=O)N3)O

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CCSC3=NC(=CC(=O)N3)O

InChI

InChI=1S/C18H19N5O4S/c1-11-16(17(27)23(22(11)2)12-6-4-3-5-7-12)19-13(24)8-9-28-18-20-14(25)10-15(26)21-18/h3-7,10H,8-9H2,1-2H3,(H,19,24)(H2,20,21,25,26)