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

Systemtic Name: 5-chloranyl-N-[(4-ethoxyphenyl)methyl]-2-methylsulfanyl-N-(phenylmethyl)pyrimidine-4-carboxamide Openeye Name: N-benzyl-5-chloro-N-[(4-ethoxyphenyl)methyl]-2-methylsulfanyl-pyrimidine-4-carboxamide CAS Name: 5-chloro-N-[(4-ethoxyphenyl)methyl]-2-(methylthio)-N-(phenylmethyl)-4-pyrimidinecarboxamide IUPAC Name: N-benzyl-5-chloro-N-[(4-ethoxyphenyl)methyl]-2-methylsulfanylpyrimidine-4-carboxamide Traditional Name: N-benzyl-5-chloro-N-(4-ethoxybenzyl)-2-(methylthio)pyrimidine-4-carboxamide Formula: C22H22ClN3O2S MolecularWeight: 427.94698

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22ClN3O2S/c1-3-28-18-11-9-17(10-12-18)15-26(14-16-7-5-4-6-8-16)21(27)20-19(23)13-24-22(25-20)29-2/h4-13H,3,14-15H2,1-2H3