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

Systemtic Name: 2-methylsulfanyl-4-phenyl-N-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-5-carboxamide Openeye Name: 2-methylsulfanyl-4-phenyl-N-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-5-carboxamide CAS Name: 2-(methylthio)-4-phenyl-N-[(3,4,5-trimethoxyphenyl)methyl]-5-pyrimidinecarboxamide IUPAC Name: 2-methylsulfanyl-4-phenyl-N-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-5-carboxamide Traditional Name: 2-(methylthio)-4-phenyl-N-(3,4,5-trimethoxybenzyl)pyrimidine-5-carboxamide Formula: C22H23N3O4S MolecularWeight: 425.50072

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CNC(=O)C2=CN=C(N=C2C3=CC=CC=C3)SC

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CNC(=O)C2=CN=C(N=C2C3=CC=CC=C3)SC

InChI

InChI=1S/C22H23N3O4S/c1-27-17-10-14(11-18(28-2)20(17)29-3)12-23-21(26)16-13-24-22(30-4)25-19(16)15-8-6-5-7-9-15/h5-11,13H,12H2,1-4H3,(H,23,26)