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

Systemtic Name: 1-cyclopentyl-3-[3-ethoxy-2,6-bis(fluoranyl)phenyl]-7-methylsulfanyl-4H-pyrimido[4,5-d]pyrimidin-2-one Openeye Name: 1-cyclopentyl-3-(3-ethoxy-2,6-difluoro-phenyl)-7-methylsulfanyl-4H-pyrimido[4,5-d]pyrimidin-2-one CAS Name: 1-cyclopentyl-3-(3-ethoxy-2,6-difluorophenyl)-7-(methylthio)-4H-pyrimido[4,5-d]pyrimidin-2-one IUPAC Name: 1-cyclopentyl-3-(3-ethoxy-2,6-difluorophenyl)-7-methylsulfanyl-4H-pyrimido[4,5-d]pyrimidin-2-one Traditional Name: 1-cyclopentyl-3-(3-ethoxy-2,6-difluoro-phenyl)-7-(methylthio)-4H-pyrimido[4,5-d]pyrimidin-2-one Formula: C20H22F2N4O2S MolecularWeight: 420.476086

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=C(C=C1)F)N2CC3=CN=C(N=C3N(C2=O)C4CCCC4)SC)F

Isomeric SMILES

CCOC1=C(C(=C(C=C1)F)N2CC3=CN=C(N=C3N(C2=O)C4CCCC4)SC)F

InChI

InChI=1S/C20H22F2N4O2S/c1-3-28-15-9-8-14(21)17(16(15)22)25-11-12-10-23-19(29-2)24-18(12)26(20(25)27)13-6-4-5-7-13/h8-10,13H,3-7,11H2,1-2H3