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

Systemtic Name: N-[2-(4-ethoxyphenyl)ethyl]-2-methylsulfanyl-4-phenyl-pyrimidine-5-carboxamide Openeye Name: N-[2-(4-ethoxyphenyl)ethyl]-2-methylsulfanyl-4-phenyl-pyrimidine-5-carboxamide CAS Name: N-[2-(4-ethoxyphenyl)ethyl]-2-(methylthio)-4-phenyl-5-pyrimidinecarboxamide IUPAC Name: N-[2-(4-ethoxyphenyl)ethyl]-2-methylsulfanyl-4-phenylpyrimidine-5-carboxamide Traditional Name: 2-(methylthio)-4-phenyl-N-(2-p-phenetylethyl)pyrimidine-5-carboxamide Formula: C22H23N3O2S MolecularWeight: 393.50192

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O2S/c1-3-27-18-11-9-16(10-12-18)13-14-23-21(26)19-15-24-22(28-2)25-20(19)17-7-5-4-6-8-17/h4-12,15H,3,13-14H2,1-2H3,(H,23,26)