N-butan-2-yl-2-[4-chloranyl-6-[4-(diphenylmethyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-butan-2-yl-2-[4-chloranyl-6-[4-(diphenylmethyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-ethanamide Openeye Name: 2-[4-(4-benzhydrylpiperazin-1-yl)-6-chloro-pyrimidin-2-yl]sulfanyl-N-sec-butyl-acetamide CAS Name: N-butan-2-yl-2-[[4-chloro-6-[4-(diphenylmethyl)-1-piperazinyl]-2-pyrimidinyl]thio]acetamide IUPAC Name: 2-[4-(4-benzhydrylpiperazin-1-yl)-6-chloropyrimidin-2-yl]sulfanyl-N-butan-2-ylacetamide Traditional Name: 2-[[4-(4-benzhydrylpiperazino)-6-chloro-pyrimidin-2-yl]thio]-N-sec-butyl-acetamide Formula: C27H32ClN5OS MolecularWeight: 510.09388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)CSC1=NC(=CC(=N1)Cl)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCC(C)NC(=O)CSC1=NC(=CC(=N1)Cl)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H32ClN5OS/c1-3-20(2)29-25(34)19-35-27-30-23(28)18-24(31-27)32-14-16-33(17-15-32)26(21-10-6-4-7-11-21)22-12-8-5-9-13-22/h4-13,18,20,26H,3,14-17,19H2,1-2H3,(H,29,34)