2-[4-chloranyl-6-(4-cyclopropylcarbonyl-3-methyl-piperazin-1-yl)pyrimidin-2-yl]sulfanyl-1-piperidin-1-yl-ethanone

Systemtic Name: 2-[4-chloranyl-6-(4-cyclopropylcarbonyl-3-methyl-piperazin-1-yl)pyrimidin-2-yl]sulfanyl-1-piperidin-1-yl-ethanone Openeye Name: 2-[4-chloro-6-[4-(cyclopropanecarbonyl)-3-methyl-piperazin-1-yl]pyrimidin-2-yl]sulfanyl-1-(1-piperidyl)ethanone CAS Name: 2-[[4-chloro-6-[4-[cyclopropyl(oxo)methyl]-3-methyl-1-piperazinyl]-2-pyrimidinyl]thio]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[4-chloro-6-[4-(cyclopropanecarbonyl)-3-methylpiperazin-1-yl]pyrimidin-2-yl]sulfanyl-1-piperidin-1-ylethanone Traditional Name: 2-[[4-chloro-6-[4-(cyclopropanecarbonyl)-3-methyl-piperazino]pyrimidin-2-yl]thio]-1-piperidino-ethanone Formula: C20H28ClN5O2S MolecularWeight: 437.98662

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C2CC2)C3=CC(=NC(=N3)SCC(=O)N4CCCCC4)Cl

Isomeric SMILES

CC1CN(CCN1C(=O)C2CC2)C3=CC(=NC(=N3)SCC(=O)N4CCCCC4)Cl

InChI

InChI=1S/C20H28ClN5O2S/c1-14-12-25(9-10-26(14)19(28)15-5-6-15)17-11-16(21)22-20(23-17)29-13-18(27)24-7-3-2-4-8-24/h11,14-15H,2-10,12-13H2,1H3