1-[4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-2-methylsulfanyl-pyrimidin-5-yl]-2-methoxy-ethanone

Systemtic Name: 1-[4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-2-methylsulfanyl-pyrimidin-5-yl]-2-methoxy-ethanone Openeye Name: 1-[4-[(3-chloro-4-methoxy-phenyl)methylamino]-2-methylsulfanyl-pyrimidin-5-yl]-2-methoxy-ethanone CAS Name: 1-[4-[(3-chloro-4-methoxyphenyl)methylamino]-2-(methylthio)-5-pyrimidinyl]-2-methoxyethanone IUPAC Name: 1-[4-[(3-chloro-4-methoxyphenyl)methylamino]-2-methylsulfanylpyrimidin-5-yl]-2-methoxyethanone Traditional Name: 1-[4-[(3-chloro-4-methoxy-benzyl)amino]-2-(methylthio)pyrimidin-5-yl]-2-methoxy-ethanone Formula: C16H18ClN3O3S MolecularWeight: 367.85042

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Descriptors Computed from Structure

Canonical SMILES:

COCC(=O)C1=CN=C(N=C1NCC2=CC(=C(C=C2)OC)Cl)SC

Isomeric SMILES

COCC(=O)C1=CN=C(N=C1NCC2=CC(=C(C=C2)OC)Cl)SC

InChI

InChI=1S/C16H18ClN3O3S/c1-22-9-13(21)11-8-19-16(24-3)20-15(11)18-7-10-4-5-14(23-2)12(17)6-10/h4-6,8H,7,9H2,1-3H3,(H,18,19,20)