1-[2-[4-chloranyl-6-(4-cyclopentylcarbonyl-3-methyl-piperazin-1-yl)pyrimidin-2-yl]sulfanylethanoyl]piperidine-4-carboxamide

Systemtic Name: 1-[2-[4-chloranyl-6-(4-cyclopentylcarbonyl-3-methyl-piperazin-1-yl)pyrimidin-2-yl]sulfanylethanoyl]piperidine-4-carboxamide Openeye Name: 1-[2-[4-chloro-6-[4-(cyclopentanecarbonyl)-3-methyl-piperazin-1-yl]pyrimidin-2-yl]sulfanylacetyl]piperidine-4-carboxamide CAS Name: 1-[2-[[4-chloro-6-[4-[cyclopentyl(oxo)methyl]-3-methyl-1-piperazinyl]-2-pyrimidinyl]thio]-1-oxoethyl]-4-piperidinecarboxamide IUPAC Name: 1-[2-[4-chloro-6-[4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]pyrimidin-2-yl]sulfanylacetyl]piperidine-4-carboxamide Traditional Name: 1-[2-[[4-chloro-6-[4-(cyclopentanecarbonyl)-3-methyl-piperazino]pyrimidin-2-yl]thio]acetyl]isonipecotamide Formula: C23H33ClN6O3S MolecularWeight: 509.06452

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C2CCCC2)C3=CC(=NC(=N3)SCC(=O)N4CCC(CC4)C(=O)N)Cl

Isomeric SMILES

CC1CN(CCN1C(=O)C2CCCC2)C3=CC(=NC(=N3)SCC(=O)N4CCC(CC4)C(=O)N)Cl

InChI

InChI=1S/C23H33ClN6O3S/c1-15-13-29(10-11-30(15)22(33)17-4-2-3-5-17)19-12-18(24)26-23(27-19)34-14-20(31)28-8-6-16(7-9-28)21(25)32/h12,15-17H,2-11,13-14H2,1H3,(H2,25,32)