4-[[4-[4-(2-chlorophenyl)piperazin-1-yl]-6-ethyl-pyrimidin-2-yl]sulfanylmethyl]-N-ethyl-N-methyl-benzamide

Systemtic Name: 4-[[4-[4-(2-chlorophenyl)piperazin-1-yl]-6-ethyl-pyrimidin-2-yl]sulfanylmethyl]-N-ethyl-N-methyl-benzamide Openeye Name: 4-[[4-[4-(2-chlorophenyl)piperazin-1-yl]-6-ethyl-pyrimidin-2-yl]sulfanylmethyl]-N-ethyl-N-methyl-benzamide CAS Name: 4-[[[4-[4-(2-chlorophenyl)-1-piperazinyl]-6-ethyl-2-pyrimidinyl]thio]methyl]-N-ethyl-N-methylbenzamide IUPAC Name: 4-[[4-[4-(2-chlorophenyl)piperazin-1-yl]-6-ethylpyrimidin-2-yl]sulfanylmethyl]-N-ethyl-N-methylbenzamide Traditional Name: 4-[[[4-[4-(2-chlorophenyl)piperazino]-6-ethyl-pyrimidin-2-yl]thio]methyl]-N-ethyl-N-methyl-benzamide Formula: C27H32ClN5OS MolecularWeight: 510.09388

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)N(C)CC)N3CCN(CC3)C4=CC=CC=C4Cl

Isomeric SMILES

CCC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)N(C)CC)N3CCN(CC3)C4=CC=CC=C4Cl

InChI

InChI=1S/C27H32ClN5OS/c1-4-22-18-25(33-16-14-32(15-17-33)24-9-7-6-8-23(24)28)30-27(29-22)35-19-20-10-12-21(13-11-20)26(34)31(3)5-2/h6-13,18H,4-5,14-17,19H2,1-3H3