2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone

Systemtic Name: 2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone CAS Name: 2-[[1-(3-methoxyphenyl)-2-imidazolyl]thio]-1-[4-(2-pyrimidinyl)-1-piperazinyl]ethanone IUPAC Name: 2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-[[1-(3-methoxyphenyl)imidazol-2-yl]thio]-1-[4-(2-pyrimidyl)piperazino]ethanone Formula: C20H22N6O2S MolecularWeight: 410.49268

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2C=CN=C2SCC(=O)N3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

COC1=CC=CC(=C1)N2C=CN=C2SCC(=O)N3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C20H22N6O2S/c1-28-17-5-2-4-16(14-17)26-9-8-23-20(26)29-15-18(27)24-10-12-25(13-11-24)19-21-6-3-7-22-19/h2-9,14H,10-13,15H2,1H3