4,6-dimethyl-1-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-2-sulfanylidene-pyridine-3-carboxamide

Systemtic Name: 4,6-dimethyl-1-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-2-sulfanylidene-pyridine-3-carboxamide Openeye Name: 4,6-dimethyl-1-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-2-thioxo-pyridine-3-carboxamide CAS Name: 4,6-dimethyl-1-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]-2-sulfanylidene-3-pyridinecarboxamide IUPAC Name: 4,6-dimethyl-1-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-2-sulfanylidenepyridine-3-carboxamide Traditional Name: 4,6-dimethyl-1-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]-2-thioxo-nicotinamide Formula: C17H23N6OS+ MolecularWeight: 359.46912

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=S)N1C[NH+]2CCN(CC2)C3=NC=CC=N3)C(=O)N)C

Isomeric SMILES

CC1=CC(=C(C(=S)N1C[NH+]2CCN(CC2)C3=NC=CC=N3)C(=O)N)C

InChI

InChI=1S/C17H22N6OS/c1-12-10-13(2)23(16(25)14(12)15(18)24)11-21-6-8-22(9-7-21)17-19-4-3-5-20-17/h3-5,10H,6-9,11H2,1-2H3,(H2,18,24)/p+1