5-chloranyl-N-(4-methoxyphenyl)-2-(phenylmethylsulfanyl)pyrimidine-4-carboxamide

Systemtic Name: 5-chloranyl-N-(4-methoxyphenyl)-2-(phenylmethylsulfanyl)pyrimidine-4-carboxamide Openeye Name: 2-benzylsulfanyl-5-chloro-N-(4-methoxyphenyl)pyrimidine-4-carboxamide CAS Name: 5-chloro-N-(4-methoxyphenyl)-2-(phenylmethylthio)-4-pyrimidinecarboxamide IUPAC Name: 2-benzylsulfanyl-5-chloro-N-(4-methoxyphenyl)pyrimidine-4-carboxamide Traditional Name: 2-(benzylthio)-5-chloro-N-(4-methoxyphenyl)pyrimidine-4-carboxamide Formula: C19H16ClN3O2S MolecularWeight: 385.86724

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)C2=NC(=NC=C2Cl)SCC3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)C2=NC(=NC=C2Cl)SCC3=CC=CC=C3

InChI

InChI=1S/C19H16ClN3O2S/c1-25-15-9-7-14(8-10-15)22-18(24)17-16(20)11-21-19(23-17)26-12-13-5-3-2-4-6-13/h2-11H,12H2,1H3,(H,22,24)