N-[2-(5,6-dimethyl-4-oxidanylidene-1H-pyrimidin-2-yl)-5-methyl-pyrazol-3-yl]-2-(4-propan-2-ylsulfanylphenyl)ethanamide

Systemtic Name: N-[2-(5,6-dimethyl-4-oxidanylidene-1H-pyrimidin-2-yl)-5-methyl-pyrazol-3-yl]-2-(4-propan-2-ylsulfanylphenyl)ethanamide Openeye Name: N-[2-(5,6-dimethyl-4-oxo-1H-pyrimidin-2-yl)-5-methyl-pyrazol-3-yl]-2-(4-isopropylsulfanylphenyl)acetamide CAS Name: N-[2-(5,6-dimethyl-4-oxo-1H-pyrimidin-2-yl)-5-methyl-3-pyrazolyl]-2-[4-(propan-2-ylthio)phenyl]acetamide IUPAC Name: N-[2-(5,6-dimethyl-4-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(4-propan-2-ylsulfanylphenyl)acetamide Traditional Name: 2-[4-(isopropylthio)phenyl]-N-[2-(4-keto-5,6-dimethyl-1H-pyrimidin-2-yl)-5-methyl-pyrazol-3-yl]acetamide Formula: C21H25N5O2S MolecularWeight: 411.5205

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)NC(=O)CC2=CC=C(C=C2)SC(C)C)C3=NC(=O)C(=C(N3)C)C

Isomeric SMILES

CC1=NN(C(=C1)NC(=O)CC2=CC=C(C=C2)SC(C)C)C3=NC(=O)C(=C(N3)C)C

InChI

InChI=1S/C21H25N5O2S/c1-12(2)29-17-8-6-16(7-9-17)11-19(27)23-18-10-13(3)25-26(18)21-22-15(5)14(4)20(28)24-21/h6-10,12H,11H2,1-5H3,(H,23,27)(H,22,24,28)