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

Systemtic Name: 5-chloranyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(phenylmethylsulfanyl)pyrimidine-4-carboxamide Openeye Name: 2-benzylsulfanyl-5-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrimidine-4-carboxamide CAS Name: 5-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(phenylmethylthio)-4-pyrimidinecarboxamide IUPAC Name: 2-benzylsulfanyl-5-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrimidine-4-carboxamide Traditional Name: 2-(benzylthio)-5-chloro-N-homoveratryl-pyrimidine-4-carboxamide Formula: C22H22ClN3O3S MolecularWeight: 443.94638

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)C2=NC(=NC=C2Cl)SCC3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)C2=NC(=NC=C2Cl)SCC3=CC=CC=C3)OC

InChI

InChI=1S/C22H22ClN3O3S/c1-28-18-9-8-15(12-19(18)29-2)10-11-24-21(27)20-17(23)13-25-22(26-20)30-14-16-6-4-3-5-7-16/h3-9,12-13H,10-11,14H2,1-2H3,(H,24,27)