5-chloranyl-2-ethylsulfanyl-N-(4-methoxyphenyl)-N-(phenylmethyl)pyrimidine-4-carboxamide

Systemtic Name: 5-chloranyl-2-ethylsulfanyl-N-(4-methoxyphenyl)-N-(phenylmethyl)pyrimidine-4-carboxamide Openeye Name: N-benzyl-5-chloro-2-ethylsulfanyl-N-(4-methoxyphenyl)pyrimidine-4-carboxamide CAS Name: 5-chloro-2-(ethylthio)-N-(4-methoxyphenyl)-N-(phenylmethyl)-4-pyrimidinecarboxamide IUPAC Name: N-benzyl-5-chloro-2-ethylsulfanyl-N-(4-methoxyphenyl)pyrimidine-4-carboxamide Traditional Name: N-benzyl-5-chloro-2-(ethylthio)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide Formula: C21H20ClN3O2S MolecularWeight: 413.9204

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC=C(C(=N1)C(=O)N(CC2=CC=CC=C2)C3=CC=C(C=C3)OC)Cl

Isomeric SMILES

CCSC1=NC=C(C(=N1)C(=O)N(CC2=CC=CC=C2)C3=CC=C(C=C3)OC)Cl

InChI

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