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

Systemtic Name: 4,5,6-trimethyl-2-[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]sulfanyl-pyridine-3-carboxamide Openeye Name: 4,5,6-trimethyl-2-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]sulfanyl-pyridine-3-carboxamide CAS Name: 4,5,6-trimethyl-2-[[2-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl]thio]-3-pyridinecarboxamide IUPAC Name: 4,5,6-trimethyl-2-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]sulfanylpyridine-3-carboxamide Traditional Name: 2-[[2-keto-2-[4-(2-pyrimidyl)piperazino]ethyl]thio]-4,5,6-trimethyl-nicotinamide Formula: C19H24N6O2S MolecularWeight: 400.49786

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24N6O2S/c1-12-13(2)16(17(20)27)18(23-14(12)3)28-11-15(26)24-7-9-25(10-8-24)19-21-5-4-6-22-19/h4-6H,7-11H2,1-3H3,(H2,20,27)