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

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methylsulfanyl-4-phenyl-pyrimidine-5-carboxamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methylsulfanyl-4-phenyl-pyrimidine-5-carboxamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(methylthio)-4-phenyl-5-pyrimidinecarboxamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methylsulfanyl-4-phenylpyrimidine-5-carboxamide Traditional Name: N-homoveratryl-2-(methylthio)-4-phenyl-pyrimidine-5-carboxamide Formula: C22H23N3O3S MolecularWeight: 409.50132

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)C2=CN=C(N=C2C3=CC=CC=C3)SC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)C2=CN=C(N=C2C3=CC=CC=C3)SC)OC

InChI

InChI=1S/C22H23N3O3S/c1-27-18-10-9-15(13-19(18)28-2)11-12-23-21(26)17-14-24-22(29-3)25-20(17)16-7-5-4-6-8-16/h4-10,13-14H,11-12H2,1-3H3,(H,23,26)