4,5,6-trimethyl-2-[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]sulfanyl-pyridine-3-carbonitrile

Systemtic Name: 4,5,6-trimethyl-2-[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]sulfanyl-pyridine-3-carbonitrile Openeye Name: 4,5,6-trimethyl-2-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]sulfanyl-pyridine-3-carbonitrile CAS Name: 4,5,6-trimethyl-2-[[2-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl]thio]-3-pyridinecarbonitrile IUPAC Name: 4,5,6-trimethyl-2-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]sulfanylpyridine-3-carbonitrile Traditional Name: 2-[[2-keto-2-[4-(2-pyrimidyl)piperazino]ethyl]thio]-4,5,6-trimethyl-nicotinonitrile Formula: C19H22N6OS MolecularWeight: 382.48258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(C(=C1C)C#N)SCC(=O)N2CCN(CC2)C3=NC=CC=N3)C

Isomeric SMILES

CC1=C(N=C(C(=C1C)C#N)SCC(=O)N2CCN(CC2)C3=NC=CC=N3)C

InChI

InChI=1S/C19H22N6OS/c1-13-14(2)16(11-20)18(23-15(13)3)27-12-17(26)24-7-9-25(10-8-24)19-21-5-4-6-22-19/h4-6H,7-10,12H2,1-3H3