N-[5-methyl-2-(6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)pyrazol-3-yl]-3-phenylsulfanyl-propanamide

Systemtic Name: N-[5-methyl-2-(6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)pyrazol-3-yl]-3-phenylsulfanyl-propanamide Openeye Name: N-[5-methyl-2-(6-methyl-4-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]-3-phenylsulfanyl-propanamide CAS Name: N-[5-methyl-2-(6-methyl-4-oxo-1H-pyrimidin-2-yl)-3-pyrazolyl]-3-(phenylthio)propanamide IUPAC Name: N-[5-methyl-2-(6-methyl-4-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]-3-phenylsulfanylpropanamide Traditional Name: N-[2-(4-keto-6-methyl-1H-pyrimidin-2-yl)-5-methyl-pyrazol-3-yl]-3-(phenylthio)propionamide Formula: C18H19N5O2S MolecularWeight: 369.44076

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N=C(N1)N2C(=CC(=N2)C)NC(=O)CCSC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=O)N=C(N1)N2C(=CC(=N2)C)NC(=O)CCSC3=CC=CC=C3

InChI

InChI=1S/C18H19N5O2S/c1-12-11-17(25)21-18(19-12)23-15(10-13(2)22-23)20-16(24)8-9-26-14-6-4-3-5-7-14/h3-7,10-11H,8-9H2,1-2H3,(H,20,24)(H,19,21,25)