2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone

Systemtic Name: 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone CAS Name: 2-[(6-methyl-1H-benzimidazol-2-yl)thio]-1-[4-(2-pyrimidinyl)-1-piperazinyl]ethanone IUPAC Name: 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-[(6-methyl-1H-benzimidazol-2-yl)thio]-1-[4-(2-pyrimidyl)piperazino]ethanone Formula: C18H20N6OS MolecularWeight: 368.456

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(N2)SCC(=O)N3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(N2)SCC(=O)N3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C18H20N6OS/c1-13-3-4-14-15(11-13)22-18(21-14)26-12-16(25)23-7-9-24(10-8-23)17-19-5-2-6-20-17/h2-6,11H,7-10,12H2,1H3,(H,21,22)