3-[2,6-bis(fluoranyl)-3,5-dimethoxy-phenyl]-1-cyclopentyl-7-methylsulfanyl-4H-pyrimido[4,5-d]pyrimidin-2-one

Systemtic Name: 3-[2,6-bis(fluoranyl)-3,5-dimethoxy-phenyl]-1-cyclopentyl-7-methylsulfanyl-4H-pyrimido[4,5-d]pyrimidin-2-one Openeye Name: 1-cyclopentyl-3-(2,6-difluoro-3,5-dimethoxy-phenyl)-7-methylsulfanyl-4H-pyrimido[4,5-d]pyrimidin-2-one CAS Name: 1-cyclopentyl-3-(2,6-difluoro-3,5-dimethoxyphenyl)-7-(methylthio)-4H-pyrimido[4,5-d]pyrimidin-2-one IUPAC Name: 1-cyclopentyl-3-(2,6-difluoro-3,5-dimethoxyphenyl)-7-methylsulfanyl-4H-pyrimido[4,5-d]pyrimidin-2-one Traditional Name: 1-cyclopentyl-3-(2,6-difluoro-3,5-dimethoxy-phenyl)-7-(methylthio)-4H-pyrimido[4,5-d]pyrimidin-2-one Formula: C20H22F2N4O3S MolecularWeight: 436.475486

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C(=C1F)N2CC3=CN=C(N=C3N(C2=O)C4CCCC4)SC)F)OC

Isomeric SMILES

COC1=CC(=C(C(=C1F)N2CC3=CN=C(N=C3N(C2=O)C4CCCC4)SC)F)OC

InChI

InChI=1S/C20H22F2N4O3S/c1-28-13-8-14(29-2)16(22)17(15(13)21)25-10-11-9-23-19(30-3)24-18(11)26(20(25)27)12-6-4-5-7-12/h8-9,12H,4-7,10H2,1-3H3