3-[[4-chloranyl-6-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]pyrimidin-2-yl]sulfanylmethyl]-N-[5-(diethylamino)pentan-2-yl]benzamide

Systemtic Name: 3-[[4-chloranyl-6-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]pyrimidin-2-yl]sulfanylmethyl]-N-[5-(diethylamino)pentan-2-yl]benzamide Openeye Name: 3-[[4-chloro-6-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]pyrimidin-2-yl]sulfanylmethyl]-N-[4-(diethylamino)-1-methyl-butyl]benzamide CAS Name: 3-[[[4-chloro-6-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-pyrimidinyl]thio]methyl]-N-[5-(diethylamino)pentan-2-yl]benzamide IUPAC Name: 3-[[4-chloro-6-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]pyrimidin-2-yl]sulfanylmethyl]-N-[5-(diethylamino)pentan-2-yl]benzamide Traditional Name: 3-[[[4-chloro-6-[homoveratryl(methyl)amino]pyrimidin-2-yl]thio]methyl]-N-[4-(diethylamino)-1-methyl-butyl]benzamide Formula: C32H44ClN5O3S MolecularWeight: 614.24146

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H44ClN5O3S/c1-7-38(8-2)17-10-11-23(3)34-31(39)26-13-9-12-25(19-26)22-42-32-35-29(33)21-30(36-32)37(4)18-16-24-14-15-27(40-5)28(20-24)41-6/h9,12-15,19-21,23H,7-8,10-11,16-18,22H2,1-6H3,(H,34,39)