4-[[4-chloranyl-6-[methyl(propyl)amino]pyrimidin-2-yl]sulfanylmethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-benzamide

Systemtic Name: 4-[[4-chloranyl-6-[methyl(propyl)amino]pyrimidin-2-yl]sulfanylmethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-benzamide Openeye Name: 4-[[4-chloro-6-[methyl(propyl)amino]pyrimidin-2-yl]sulfanylmethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-benzamide CAS Name: 4-[[[4-chloro-6-[methyl(propyl)amino]-2-pyrimidinyl]thio]methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylbenzamide IUPAC Name: 4-[[4-chloro-6-[methyl(propyl)amino]pyrimidin-2-yl]sulfanylmethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylbenzamide Traditional Name: 4-[[[4-chloro-6-[methyl(propyl)amino]pyrimidin-2-yl]thio]methyl]-N-homoveratryl-N-methyl-benzamide Formula: C27H33ClN4O3S MolecularWeight: 529.09392

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(C)C1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)N(C)CCC3=CC(=C(C=C3)OC)OC)Cl

Isomeric SMILES

CCCN(C)C1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)N(C)CCC3=CC(=C(C=C3)OC)OC)Cl

InChI

InChI=1S/C27H33ClN4O3S/c1-6-14-31(2)25-17-24(28)29-27(30-25)36-18-20-7-10-21(11-8-20)26(33)32(3)15-13-19-9-12-22(34-4)23(16-19)35-5/h7-12,16-17H,6,13-15,18H2,1-5H3