2-[4-chloranyl-6-(4-cyclopentylcarbonylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-(2-dimethylaminoethyl)-N-(phenylmethyl)ethanamide

Systemtic Name: 2-[4-chloranyl-6-(4-cyclopentylcarbonylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-(2-dimethylaminoethyl)-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[4-chloro-6-[4-(cyclopentanecarbonyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-(2-dimethylaminoethyl)acetamide CAS Name: 2-[[4-chloro-6-[4-[cyclopentyl(oxo)methyl]-1-piperazinyl]-2-pyrimidinyl]thio]-N-(2-dimethylaminoethyl)-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[4-chloro-6-[4-(cyclopentanecarbonyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-(2-dimethylaminoethyl)acetamide Traditional Name: N-benzyl-2-[[4-chloro-6-[4-(cyclopentanecarbonyl)piperazino]pyrimidin-2-yl]thio]-N-(2-dimethylaminoethyl)acetamide Formula: C27H37ClN6O2S MolecularWeight: 545.13968

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCN(CC1=CC=CC=C1)C(=O)CSC2=NC(=CC(=N2)Cl)N3CCN(CC3)C(=O)C4CCCC4

Isomeric SMILES

CN(C)CCN(CC1=CC=CC=C1)C(=O)CSC2=NC(=CC(=N2)Cl)N3CCN(CC3)C(=O)C4CCCC4

InChI

InChI=1S/C27H37ClN6O2S/c1-31(2)12-13-34(19-21-8-4-3-5-9-21)25(35)20-37-27-29-23(28)18-24(30-27)32-14-16-33(17-15-32)26(36)22-10-6-7-11-22/h3-5,8-9,18,22H,6-7,10-17,19-20H2,1-2H3