2-(4-azanyl-6-methyl-pyrimidin-2-yl)sulfanyl-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone

Systemtic Name: 2-(4-azanyl-6-methyl-pyrimidin-2-yl)sulfanyl-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone Openeye Name: 2-(4-amino-6-methyl-pyrimidin-2-yl)sulfanyl-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone CAS Name: 2-[(4-amino-6-methyl-2-pyrimidinyl)thio]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone IUPAC Name: 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone Traditional Name: 2-[(4-amino-6-methyl-pyrimidin-2-yl)thio]-1-(3-phenyl-2-pyrazolin-1-yl)ethanone Formula: C16H17N5OS MolecularWeight: 327.40408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)N2CCC(=N2)C3=CC=CC=C3)N

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)N2CCC(=N2)C3=CC=CC=C3)N

InChI

InChI=1S/C16H17N5OS/c1-11-9-14(17)19-16(18-11)23-10-15(22)21-8-7-13(20-21)12-5-3-2-4-6-12/h2-6,9H,7-8,10H2,1H3,(H2,17,18,19)