6-cyclopropyl-2-methylsulfanyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)carbonyl-pyridine-3-carbonitrile

Systemtic Name: 6-cyclopropyl-2-methylsulfanyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)carbonyl-pyridine-3-carbonitrile Openeye Name: 6-cyclopropyl-2-methylsulfanyl-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyridine-3-carbonitrile CAS Name: 6-cyclopropyl-2-(methylthio)-4-[oxo-[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-3-pyridinecarbonitrile IUPAC Name: 6-cyclopropyl-2-methylsulfanyl-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyridine-3-carbonitrile Traditional Name: 6-cyclopropyl-2-(methylthio)-4-[4-(2-pyrimidyl)piperazine-1-carbonyl]nicotinonitrile Formula: C19H20N6OS MolecularWeight: 380.4667

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C(=CC(=N1)C2CC2)C(=O)N3CCN(CC3)C4=NC=CC=N4)C#N

Isomeric SMILES

CSC1=C(C(=CC(=N1)C2CC2)C(=O)N3CCN(CC3)C4=NC=CC=N4)C#N

InChI

InChI=1S/C19H20N6OS/c1-27-17-15(12-20)14(11-16(23-17)13-3-4-13)18(26)24-7-9-25(10-8-24)19-21-5-2-6-22-19/h2,5-6,11,13H,3-4,7-10H2,1H3