5-chloranyl-N-ethyl-2-methylsulfanyl-N-[(4-phenylmethoxyphenyl)methyl]pyrimidine-4-carboxamide

Systemtic Name: 5-chloranyl-N-ethyl-2-methylsulfanyl-N-[(4-phenylmethoxyphenyl)methyl]pyrimidine-4-carboxamide Openeye Name: N-[(4-benzyloxyphenyl)methyl]-5-chloro-N-ethyl-2-methylsulfanyl-pyrimidine-4-carboxamide CAS Name: 5-chloro-N-ethyl-2-(methylthio)-N-[(4-phenylmethoxyphenyl)methyl]-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-N-ethyl-2-methylsulfanyl-N-[(4-phenylmethoxyphenyl)methyl]pyrimidine-4-carboxamide Traditional Name: N-(4-benzoxybenzyl)-5-chloro-N-ethyl-2-(methylthio)pyrimidine-4-carboxamide Formula: C22H22ClN3O2S MolecularWeight: 427.94698

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=C(C=C1)OCC2=CC=CC=C2)C(=O)C3=NC(=NC=C3Cl)SC

Isomeric SMILES

CCN(CC1=CC=C(C=C1)OCC2=CC=CC=C2)C(=O)C3=NC(=NC=C3Cl)SC

InChI

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