N-[4-[4-[2-(1-methylimidazol-2-yl)sulfanylethylamino]piperidin-1-yl]phenyl]pyrazine-2-carboxamide

Systemtic Name: N-[4-[4-[2-(1-methylimidazol-2-yl)sulfanylethylamino]piperidin-1-yl]phenyl]pyrazine-2-carboxamide Openeye Name: N-[4-[4-[2-(1-methylimidazol-2-yl)sulfanylethylamino]-1-piperidyl]phenyl]pyrazine-2-carboxamide CAS Name: N-[4-[4-[2-[(1-methyl-2-imidazolyl)thio]ethylamino]-1-piperidinyl]phenyl]-2-pyrazinecarboxamide IUPAC Name: N-[4-[4-[2-(1-methylimidazol-2-yl)sulfanylethylamino]piperidin-1-yl]phenyl]pyrazine-2-carboxamide Traditional Name: N-[4-[4-[2-[(1-methylimidazol-2-yl)thio]ethylamino]piperidino]phenyl]pyrazinamide Formula: C22H27N7OS MolecularWeight: 437.56108

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SCCNC2CCN(CC2)C3=CC=C(C=C3)NC(=O)C4=NC=CN=C4

Isomeric SMILES

CN1C=CN=C1SCCNC2CCN(CC2)C3=CC=C(C=C3)NC(=O)C4=NC=CN=C4

InChI

InChI=1S/C22H27N7OS/c1-28-14-10-26-22(28)31-15-11-24-17-6-12-29(13-7-17)19-4-2-18(3-5-19)27-21(30)20-16-23-8-9-25-20/h2-5,8-10,14,16-17,24H,6-7,11-13,15H2,1H3,(H,27,30)