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

Systemtic Name: N-[(4-ethoxyphenyl)methyl]-2-methylsulfanyl-4-phenyl-pyrimidine-5-carboxamide Openeye Name: N-[(4-ethoxyphenyl)methyl]-2-methylsulfanyl-4-phenyl-pyrimidine-5-carboxamide CAS Name: N-[(4-ethoxyphenyl)methyl]-2-(methylthio)-4-phenyl-5-pyrimidinecarboxamide IUPAC Name: N-[(4-ethoxyphenyl)methyl]-2-methylsulfanyl-4-phenylpyrimidine-5-carboxamide Traditional Name: N-(4-ethoxybenzyl)-2-(methylthio)-4-phenyl-pyrimidine-5-carboxamide Formula: C21H21N3O2S MolecularWeight: 379.47534

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CNC(=O)C2=CN=C(N=C2C3=CC=CC=C3)SC

Isomeric SMILES

CCOC1=CC=C(C=C1)CNC(=O)C2=CN=C(N=C2C3=CC=CC=C3)SC

InChI

InChI=1S/C21H21N3O2S/c1-3-26-17-11-9-15(10-12-17)13-22-20(25)18-14-23-21(27-2)24-19(18)16-7-5-4-6-8-16/h4-12,14H,3,13H2,1-2H3,(H,22,25)