[4-[[4-chloranyl-6-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]pyrimidin-2-yl]sulfanylmethyl]phenyl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone

Systemtic Name: [4-[[4-chloranyl-6-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]pyrimidin-2-yl]sulfanylmethyl]phenyl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone Openeye Name: [4-[[4-chloro-6-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]pyrimidin-2-yl]sulfanylmethyl]phenyl]-[4-[(E)-cinnamyl]piperazin-1-yl]methanone CAS Name: [4-[[[4-chloro-6-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-pyrimidinyl]thio]methyl]phenyl]-[4-[(E)-3-phenylprop-2-enyl]-1-piperazinyl]methanone IUPAC Name: [4-[[4-chloro-6-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]pyrimidin-2-yl]sulfanylmethyl]phenyl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone Traditional Name: [4-[[[4-chloro-6-[homoveratryl(methyl)amino]pyrimidin-2-yl]thio]methyl]phenyl]-[4-[(E)-cinnamyl]piperazino]methanone Formula: C36H40ClN5O3S MolecularWeight: 658.2525

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC(=C(C=C1)OC)OC)C2=CC(=NC(=N2)SCC3=CC=C(C=C3)C(=O)N4CCN(CC4)CC=CC5=CC=CC=C5)Cl

Isomeric SMILES

CN(CCC1=CC(=C(C=C1)OC)OC)C2=CC(=NC(=N2)SCC3=CC=C(C=C3)C(=O)N4CCN(CC4)C/C=C/C5=CC=CC=C5)Cl

InChI

InChI=1S/C36H40ClN5O3S/c1-40(19-17-28-13-16-31(44-2)32(24-28)45-3)34-25-33(37)38-36(39-34)46-26-29-11-14-30(15-12-29)35(43)42-22-20-41(21-23-42)18-7-10-27-8-5-4-6-9-27/h4-16,24-25H,17-23,26H2,1-3H3/b10-7+