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

Systemtic Name: 3-(4-chloranyl-2-fluoranyl-phenyl)-4-methyl-1-(1-oxidanylpropan-2-yl)-7-phenylazanyl-4H-pyrimido[4,5-d]pyrimidin-2-one Openeye Name: 7-anilino-3-(4-chloro-2-fluoro-phenyl)-1-(2-hydroxy-1-methyl-ethyl)-4-methyl-4H-pyrimido[4,5-d]pyrimidin-2-one CAS Name: 7-anilino-3-(4-chloro-2-fluorophenyl)-1-(1-hydroxypropan-2-yl)-4-methyl-4H-pyrimido[4,5-d]pyrimidin-2-one IUPAC Name: 7-anilino-3-(4-chloro-2-fluorophenyl)-1-(1-hydroxypropan-2-yl)-4-methyl-4H-pyrimido[4,5-d]pyrimidin-2-one Traditional Name: 7-anilino-3-(4-chloro-2-fluoro-phenyl)-1-(2-hydroxy-1-methyl-ethyl)-4-methyl-4H-pyrimido[4,5-d]pyrimidin-2-one Formula: C22H21ClFN5O2 MolecularWeight: 441.885843

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2=CN=C(N=C2N(C(=O)N1C3=C(C=C(C=C3)Cl)F)C(C)CO)NC4=CC=CC=C4

Isomeric SMILES

CC1C2=CN=C(N=C2N(C(=O)N1C3=C(C=C(C=C3)Cl)F)C(C)CO)NC4=CC=CC=C4

InChI

InChI=1S/C22H21ClFN5O2/c1-13(12-30)28-20-17(11-25-21(27-20)26-16-6-4-3-5-7-16)14(2)29(22(28)31)19-9-8-15(23)10-18(19)24/h3-11,13-14,30H,12H2,1-2H3,(H,25,26,27)