3-(2-fluoranyl-4-methoxy-phenyl)-1-(3-oxidanylcyclopentyl)-7-phenylazanyl-4H-pyrimido[4,5-d]pyrimidin-2-one

Systemtic Name: 3-(2-fluoranyl-4-methoxy-phenyl)-1-(3-oxidanylcyclopentyl)-7-phenylazanyl-4H-pyrimido[4,5-d]pyrimidin-2-one Openeye Name: 7-anilino-3-(2-fluoro-4-methoxy-phenyl)-1-(3-hydroxycyclopentyl)-4H-pyrimido[4,5-d]pyrimidin-2-one CAS Name: 7-anilino-3-(2-fluoro-4-methoxyphenyl)-1-(3-hydroxycyclopentyl)-4H-pyrimido[4,5-d]pyrimidin-2-one IUPAC Name: 7-anilino-3-(2-fluoro-4-methoxyphenyl)-1-(3-hydroxycyclopentyl)-4H-pyrimido[4,5-d]pyrimidin-2-one Traditional Name: 7-anilino-3-(2-fluoro-4-methoxy-phenyl)-1-(3-hydroxycyclopentyl)-4H-pyrimido[4,5-d]pyrimidin-2-one Formula: C24H24FN5O3 MolecularWeight: 449.477463

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)N2CC3=CN=C(N=C3N(C2=O)C4CCC(C4)O)NC5=CC=CC=C5)F

Isomeric SMILES

COC1=CC(=C(C=C1)N2CC3=CN=C(N=C3N(C2=O)C4CCC(C4)O)NC5=CC=CC=C5)F

InChI

InChI=1S/C24H24FN5O3/c1-33-19-9-10-21(20(25)12-19)29-14-15-13-26-23(27-16-5-3-2-4-6-16)28-22(15)30(24(29)32)17-7-8-18(31)11-17/h2-6,9-10,12-13,17-18,31H,7-8,11,14H2,1H3,(H,26,27,28)