4-[[4-chloranyl-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide

Systemtic Name: 4-[[4-chloranyl-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide Openeye Name: 4-[[4-(4-benzylpiperazin-1-yl)-6-chloro-pyrimidin-2-yl]sulfanylmethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide CAS Name: 4-[[[4-chloro-6-[4-(phenylmethyl)-1-piperazinyl]-2-pyrimidinyl]thio]methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide IUPAC Name: 4-[[4-(4-benzylpiperazin-1-yl)-6-chloropyrimidin-2-yl]sulfanylmethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide Traditional Name: 4-[[[4-(4-benzylpiperazino)-6-chloro-pyrimidin-2-yl]thio]methyl]-N-homoveratryl-benzamide Formula: C33H36ClN5O3S MolecularWeight: 618.18864

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)C2=CC=C(C=C2)CSC3=NC(=CC(=N3)Cl)N4CCN(CC4)CC5=CC=CC=C5)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)C2=CC=C(C=C2)CSC3=NC(=CC(=N3)Cl)N4CCN(CC4)CC5=CC=CC=C5)OC

InChI

InChI=1S/C33H36ClN5O3S/c1-41-28-13-10-24(20-29(28)42-2)14-15-35-32(40)27-11-8-26(9-12-27)23-43-33-36-30(34)21-31(37-33)39-18-16-38(17-19-39)22-25-6-4-3-5-7-25/h3-13,20-21H,14-19,22-23H2,1-2H3,(H,35,40)