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

Systemtic Name: 3-[[4-chloranyl-6-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]pyrimidin-2-yl]sulfanylmethyl]-N-pentyl-benzamide Openeye Name: 3-[[4-chloro-6-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]pyrimidin-2-yl]sulfanylmethyl]-N-pentyl-benzamide CAS Name: 3-[[[4-chloro-6-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-pyrimidinyl]thio]methyl]-N-pentylbenzamide IUPAC Name: 3-[[4-chloro-6-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]pyrimidin-2-yl]sulfanylmethyl]-N-pentylbenzamide Traditional Name: N-amyl-3-[[[4-chloro-6-[homoveratryl(methyl)amino]pyrimidin-2-yl]thio]methyl]benzamide Formula: C28H35ClN4O3S MolecularWeight: 543.1205

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)C1=CC(=CC=C1)CSC2=NC(=CC(=N2)Cl)N(C)CCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCCCCNC(=O)C1=CC(=CC=C1)CSC2=NC(=CC(=N2)Cl)N(C)CCC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C28H35ClN4O3S/c1-5-6-7-14-30-27(34)22-10-8-9-21(16-22)19-37-28-31-25(29)18-26(32-28)33(2)15-13-20-11-12-23(35-3)24(17-20)36-4/h8-12,16-18H,5-7,13-15,19H2,1-4H3,(H,30,34)