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

Systemtic Name: 4-[[4-[4-(2-chlorophenyl)piperazin-1-yl]-6-ethyl-pyrimidin-2-yl]sulfanylmethyl]-N-cyclopropyl-benzamide Openeye Name: 4-[[4-[4-(2-chlorophenyl)piperazin-1-yl]-6-ethyl-pyrimidin-2-yl]sulfanylmethyl]-N-cyclopropyl-benzamide CAS Name: 4-[[[4-[4-(2-chlorophenyl)-1-piperazinyl]-6-ethyl-2-pyrimidinyl]thio]methyl]-N-cyclopropylbenzamide IUPAC Name: 4-[[4-[4-(2-chlorophenyl)piperazin-1-yl]-6-ethylpyrimidin-2-yl]sulfanylmethyl]-N-cyclopropylbenzamide Traditional Name: 4-[[[4-[4-(2-chlorophenyl)piperazino]-6-ethyl-pyrimidin-2-yl]thio]methyl]-N-cyclopropyl-benzamide Formula: C27H30ClN5OS MolecularWeight: 508.078

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)NC3CC3)N4CCN(CC4)C5=CC=CC=C5Cl

Isomeric SMILES

CCC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)NC3CC3)N4CCN(CC4)C5=CC=CC=C5Cl

InChI

InChI=1S/C27H30ClN5OS/c1-2-21-17-25(33-15-13-32(14-16-33)24-6-4-3-5-23(24)28)31-27(30-21)35-18-19-7-9-20(10-8-19)26(34)29-22-11-12-22/h3-10,17,22H,2,11-16,18H2,1H3,(H,29,34)