N-[2-(2-methoxyphenyl)ethyl]-2-methylsulfanyl-4-phenyl-pyrimidine-5-carboxamide

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CCNC(=O)C2=CN=C(N=C2C3=CC=CC=C3)SC

Isomeric SMILES

COC1=CC=CC=C1CCNC(=O)C2=CN=C(N=C2C3=CC=CC=C3)SC

InChI

InChI=1S/C21H21N3O2S/c1-26-18-11-7-6-8-15(18)12-13-22-20(25)17-14-23-21(27-2)24-19(17)16-9-4-3-5-10-16/h3-11,14H,12-13H2,1-2H3,(H,22,25)