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

Systemtic Name: 1-[4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-2-methylsulfanyl-pyrimidin-5-yl]-2-dimethoxyphosphoryl-ethanone Openeye Name: 1-[4-[(3-chloro-4-methoxy-phenyl)methylamino]-2-methylsulfanyl-pyrimidin-5-yl]-2-dimethoxyphosphoryl-ethanone CAS Name: 1-[4-[(3-chloro-4-methoxyphenyl)methylamino]-2-(methylthio)-5-pyrimidinyl]-2-dimethoxyphosphorylethanone IUPAC Name: 1-[4-[(3-chloro-4-methoxyphenyl)methylamino]-2-methylsulfanylpyrimidin-5-yl]-2-dimethoxyphosphorylethanone Traditional Name: 1-[4-[(3-chloro-4-methoxy-benzyl)amino]-2-(methylthio)pyrimidin-5-yl]-2-dimethoxyphosphoryl-ethanone Formula: C17H21ClN3O5PS MolecularWeight: 445.857501

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=NC(=NC=C2C(=O)CP(=O)(OC)OC)SC)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=NC(=NC=C2C(=O)CP(=O)(OC)OC)SC)Cl

InChI

InChI=1S/C17H21ClN3O5PS/c1-24-15-6-5-11(7-13(15)18)8-19-16-12(9-20-17(21-16)28-4)14(22)10-27(23,25-2)26-3/h5-7,9H,8,10H2,1-4H3,(H,19,20,21)