5-chloranyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4-methylphenyl)methylsulfanyl]pyrimidine-4-carboxamide

Systemtic Name: 5-chloranyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4-methylphenyl)methylsulfanyl]pyrimidine-4-carboxamide Openeye Name: 5-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(p-tolylmethylsulfanyl)pyrimidine-4-carboxamide CAS Name: 5-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4-methylphenyl)methylthio]-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4-methylphenyl)methylsulfanyl]pyrimidine-4-carboxamide Traditional Name: 5-chloro-N-homoveratryl-2-[(4-methylbenzyl)thio]pyrimidine-4-carboxamide Formula: C23H24ClN3O3S MolecularWeight: 457.97296

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=NC=C(C(=N2)C(=O)NCCC3=CC(=C(C=C3)OC)OC)Cl

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=NC=C(C(=N2)C(=O)NCCC3=CC(=C(C=C3)OC)OC)Cl

InChI

InChI=1S/C23H24ClN3O3S/c1-15-4-6-17(7-5-15)14-31-23-26-13-18(24)21(27-23)22(28)25-11-10-16-8-9-19(29-2)20(12-16)30-3/h4-9,12-13H,10-11,14H2,1-3H3,(H,25,28)