N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]-4-pyrimidin-2-yl-piperazine-1-carboxamide

Systemtic Name: N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]-4-pyrimidin-2-yl-piperazine-1-carboxamide Openeye Name: N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]-4-pyrimidin-2-yl-piperazine-1-carboxamide CAS Name: N-[4-[(1-methyl-2-imidazolyl)thio]phenyl]-4-(2-pyrimidinyl)-1-piperazinecarboxamide IUPAC Name: N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide Traditional Name: N-[4-[(1-methylimidazol-2-yl)thio]phenyl]-4-(2-pyrimidyl)piperazine-1-carboxamide Formula: C19H21N7OS MolecularWeight: 395.48134

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SC2=CC=C(C=C2)NC(=O)N3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CN1C=CN=C1SC2=CC=C(C=C2)NC(=O)N3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C19H21N7OS/c1-24-10-9-22-19(24)28-16-5-3-15(4-6-16)23-18(27)26-13-11-25(12-14-26)17-20-7-2-8-21-17/h2-10H,11-14H2,1H3,(H,23,27)