5-chloranyl-N-(4-ethoxyphenyl)-2-methylsulfanyl-N-(phenylmethyl)pyrimidine-4-carboxamide

Systemtic Name: 5-chloranyl-N-(4-ethoxyphenyl)-2-methylsulfanyl-N-(phenylmethyl)pyrimidine-4-carboxamide Openeye Name: N-benzyl-5-chloro-N-(4-ethoxyphenyl)-2-methylsulfanyl-pyrimidine-4-carboxamide CAS Name: 5-chloro-N-(4-ethoxyphenyl)-2-(methylthio)-N-(phenylmethyl)-4-pyrimidinecarboxamide IUPAC Name: N-benzyl-5-chloro-N-(4-ethoxyphenyl)-2-methylsulfanylpyrimidine-4-carboxamide Traditional Name: N-benzyl-5-chloro-2-(methylthio)-N-p-phenetyl-pyrimidine-4-carboxamide Formula: C21H20ClN3O2S MolecularWeight: 413.9204

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N(CC2=CC=CC=C2)C(=O)C3=NC(=NC=C3Cl)SC

Isomeric SMILES

CCOC1=CC=C(C=C1)N(CC2=CC=CC=C2)C(=O)C3=NC(=NC=C3Cl)SC

InChI

InChI=1S/C21H20ClN3O2S/c1-3-27-17-11-9-16(10-12-17)25(14-15-7-5-4-6-8-15)20(26)19-18(22)13-23-21(24-19)28-2/h4-13H,3,14H2,1-2H3