4,5,6-trimethyl-1-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-2-sulfanylidene-pyridine-3-carbonitrile

Systemtic Name: 4,5,6-trimethyl-1-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-2-sulfanylidene-pyridine-3-carbonitrile Openeye Name: 4,5,6-trimethyl-1-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-2-thioxo-pyridine-3-carbonitrile CAS Name: 4,5,6-trimethyl-1-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]-2-sulfanylidene-3-pyridinecarbonitrile IUPAC Name: 4,5,6-trimethyl-1-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-2-sulfanylidenepyridine-3-carbonitrile Traditional Name: 4,5,6-trimethyl-1-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]-2-thioxo-nicotinonitrile Formula: C18H23N6S+ MolecularWeight: 355.48042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=S)C(=C1C)C#N)C[NH+]2CCN(CC2)C3=NC=CC=N3)C

Isomeric SMILES

CC1=C(N(C(=S)C(=C1C)C#N)C[NH+]2CCN(CC2)C3=NC=CC=N3)C

InChI

InChI=1S/C18H22N6S/c1-13-14(2)16(11-19)17(25)24(15(13)3)12-22-7-9-23(10-8-22)18-20-5-4-6-21-18/h4-6H,7-10,12H2,1-3H3/p+1