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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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