1-[2-(3-chloranyl-4-methyl-phenyl)-6-diethoxyphosphinothioyloxy-pyrimidin-4-yl]propan-2-one

Systemtic Name: 1-[2-(3-chloranyl-4-methyl-phenyl)-6-diethoxyphosphinothioyloxy-pyrimidin-4-yl]propan-2-one Openeye Name: 1-[2-(3-chloro-4-methyl-phenyl)-6-diethoxyphosphinothioyloxy-pyrimidin-4-yl]propan-2-one CAS Name: 1-[2-(3-chloro-4-methylphenyl)-6-diethoxyphosphinothioyloxy-4-pyrimidinyl]-2-propanone IUPAC Name: 1-[2-(3-chloro-4-methylphenyl)-6-diethoxyphosphinothioyloxypyrimidin-4-yl]propan-2-one Traditional Name: 1-[2-(3-chloro-4-methyl-phenyl)-6-diethoxythiophosphoryloxy-pyrimidin-4-yl]acetone Formula: C18H22ClN2O4PS MolecularWeight: 428.870041

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=S)(OCC)OC1=NC(=NC(=C1)CC(=O)C)C2=CC(=C(C=C2)C)Cl

Isomeric SMILES

CCOP(=S)(OCC)OC1=NC(=NC(=C1)CC(=O)C)C2=CC(=C(C=C2)C)Cl

InChI

InChI=1S/C18H22ClN2O4PS/c1-5-23-26(27,24-6-2)25-17-11-15(9-13(4)22)20-18(21-17)14-8-7-12(3)16(19)10-14/h7-8,10-11H,5-6,9H2,1-4H3