1-(4-methylpiperidin-1-yl)-2-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]sulfanyl-ethanone

Systemtic Name: 1-(4-methylpiperidin-1-yl)-2-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]sulfanyl-ethanone Openeye Name: 1-(4-methyl-1-piperidyl)-2-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]sulfanyl-ethanone CAS Name: 1-(4-methyl-1-piperidinyl)-2-[[6-(4-phenyl-1-piperazinyl)-4-pyrimidinyl]thio]ethanone IUPAC Name: 1-(4-methylpiperidin-1-yl)-2-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]sulfanylethanone Traditional Name: 1-(4-methylpiperidino)-2-[[6-(4-phenylpiperazino)pyrimidin-4-yl]thio]ethanone Formula: C22H29N5OS MolecularWeight: 411.56356

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)CSC2=NC=NC(=C2)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CC1CCN(CC1)C(=O)CSC2=NC=NC(=C2)N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C22H29N5OS/c1-18-7-9-27(10-8-18)22(28)16-29-21-15-20(23-17-24-21)26-13-11-25(12-14-26)19-5-3-2-4-6-19/h2-6,15,17-18H,7-14,16H2,1H3