2-(1-methylimidazol-2-yl)sulfanyl-N-[4-(4-pyrimidin-2-ylpiperazin-1-yl)carbonylphenyl]ethanamide

Systemtic Name: 2-(1-methylimidazol-2-yl)sulfanyl-N-[4-(4-pyrimidin-2-ylpiperazin-1-yl)carbonylphenyl]ethanamide Openeye Name: 2-(1-methylimidazol-2-yl)sulfanyl-N-[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]acetamide CAS Name: 2-[(1-methyl-2-imidazolyl)thio]-N-[4-[oxo-[4-(2-pyrimidinyl)-1-piperazinyl]methyl]phenyl]acetamide IUPAC Name: 2-(1-methylimidazol-2-yl)sulfanyl-N-[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]acetamide Traditional Name: 2-[(1-methylimidazol-2-yl)thio]-N-[4-[4-(2-pyrimidyl)piperazine-1-carbonyl]phenyl]acetamide Formula: C21H23N7O2S MolecularWeight: 437.51802

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SCC(=O)NC2=CC=C(C=C2)C(=O)N3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CN1C=CN=C1SCC(=O)NC2=CC=C(C=C2)C(=O)N3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C21H23N7O2S/c1-26-10-9-24-21(26)31-15-18(29)25-17-5-3-16(4-6-17)19(30)27-11-13-28(14-12-27)20-22-7-2-8-23-20/h2-10H,11-15H2,1H3,(H,25,29)