1-cyclopentyl-3-(2-fluoranyl-3,5-dimethoxy-phenyl)-7-methylsulfinyl-4H-pyrimido[4,5-d]pyrimidin-2-one

Systemtic Name: 1-cyclopentyl-3-(2-fluoranyl-3,5-dimethoxy-phenyl)-7-methylsulfinyl-4H-pyrimido[4,5-d]pyrimidin-2-one Openeye Name: 1-cyclopentyl-3-(2-fluoro-3,5-dimethoxy-phenyl)-7-methylsulfinyl-4H-pyrimido[4,5-d]pyrimidin-2-one CAS Name: 1-cyclopentyl-3-(2-fluoro-3,5-dimethoxyphenyl)-7-methylsulfinyl-4H-pyrimido[4,5-d]pyrimidin-2-one IUPAC Name: 1-cyclopentyl-3-(2-fluoro-3,5-dimethoxyphenyl)-7-methylsulfinyl-4H-pyrimido[4,5-d]pyrimidin-2-one Traditional Name: 1-cyclopentyl-3-(2-fluoro-3,5-dimethoxy-phenyl)-7-methylsulfinyl-4H-pyrimido[4,5-d]pyrimidin-2-one Formula: C20H23FN4O4S MolecularWeight: 434.484423

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C(=C1)N2CC3=CN=C(N=C3N(C2=O)C4CCCC4)S(=O)C)F)OC

Isomeric SMILES

COC1=CC(=C(C(=C1)N2CC3=CN=C(N=C3N(C2=O)C4CCCC4)S(=O)C)F)OC

InChI

InChI=1S/C20H23FN4O4S/c1-28-14-8-15(17(21)16(9-14)29-2)24-11-12-10-22-19(30(3)27)23-18(12)25(20(24)26)13-6-4-5-7-13/h8-10,13H,4-7,11H2,1-3H3