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

Systemtic Name: 3-(2-fluoranyl-4-methoxy-phenyl)-1-(1-oxidanylpropan-2-yl)-7-phenylazanyl-4H-pyrimido[4,5-d]pyrimidin-2-one Openeye Name: 7-anilino-3-(2-fluoro-4-methoxy-phenyl)-1-(2-hydroxy-1-methyl-ethyl)-4H-pyrimido[4,5-d]pyrimidin-2-one CAS Name: 7-anilino-3-(2-fluoro-4-methoxyphenyl)-1-(1-hydroxypropan-2-yl)-4H-pyrimido[4,5-d]pyrimidin-2-one IUPAC Name: 7-anilino-3-(2-fluoro-4-methoxyphenyl)-1-(1-hydroxypropan-2-yl)-4H-pyrimido[4,5-d]pyrimidin-2-one Traditional Name: 7-anilino-3-(2-fluoro-4-methoxy-phenyl)-1-(2-hydroxy-1-methyl-ethyl)-4H-pyrimido[4,5-d]pyrimidin-2-one Formula: C22H22FN5O3 MolecularWeight: 423.440183

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Descriptors Computed from Structure

Canonical SMILES:

CC(CO)N1C2=NC(=NC=C2CN(C1=O)C3=C(C=C(C=C3)OC)F)NC4=CC=CC=C4

Isomeric SMILES

CC(CO)N1C2=NC(=NC=C2CN(C1=O)C3=C(C=C(C=C3)OC)F)NC4=CC=CC=C4

InChI

InChI=1S/C22H22FN5O3/c1-14(13-29)28-20-15(11-24-21(26-20)25-16-6-4-3-5-7-16)12-27(22(28)30)19-9-8-17(31-2)10-18(19)23/h3-11,14,29H,12-13H2,1-2H3,(H,24,25,26)