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

Systemtic Name: N-[(3,4-dimethoxyphenyl)methyl]-2-methylsulfanyl-4-phenyl-pyrimidine-5-carboxamide Openeye Name: N-[(3,4-dimethoxyphenyl)methyl]-2-methylsulfanyl-4-phenyl-pyrimidine-5-carboxamide CAS Name: N-[(3,4-dimethoxyphenyl)methyl]-2-(methylthio)-4-phenyl-5-pyrimidinecarboxamide IUPAC Name: N-[(3,4-dimethoxyphenyl)methyl]-2-methylsulfanyl-4-phenylpyrimidine-5-carboxamide Traditional Name: 2-(methylthio)-4-phenyl-N-veratryl-pyrimidine-5-carboxamide Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O3S/c1-26-17-10-9-14(11-18(17)27-2)12-22-20(25)16-13-23-21(28-3)24-19(16)15-7-5-4-6-8-15/h4-11,13H,12H2,1-3H3,(H,22,25)