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

Systemtic Name: 3-(4-chloranyl-2-fluoranyl-phenyl)-4-methyl-1-(2-methyl-3-oxidanyl-propyl)-7-phenylazanyl-4H-pyrimido[4,5-d]pyrimidin-2-one Openeye Name: 7-anilino-3-(4-chloro-2-fluoro-phenyl)-1-(3-hydroxy-2-methyl-propyl)-4-methyl-4H-pyrimido[4,5-d]pyrimidin-2-one CAS Name: 7-anilino-3-(4-chloro-2-fluorophenyl)-1-(3-hydroxy-2-methylpropyl)-4-methyl-4H-pyrimido[4,5-d]pyrimidin-2-one IUPAC Name: 7-anilino-3-(4-chloro-2-fluorophenyl)-1-(3-hydroxy-2-methylpropyl)-4-methyl-4H-pyrimido[4,5-d]pyrimidin-2-one Traditional Name: 7-anilino-3-(4-chloro-2-fluoro-phenyl)-1-(3-hydroxy-2-methyl-propyl)-4-methyl-4H-pyrimido[4,5-d]pyrimidin-2-one Formula: C23H23ClFN5O2 MolecularWeight: 455.912423

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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)CC(C)CO)NC4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C23H23ClFN5O2/c1-14(13-31)12-29-21-18(11-26-22(28-21)27-17-6-4-3-5-7-17)15(2)30(23(29)32)20-9-8-16(24)10-19(20)25/h3-11,14-15,31H,12-13H2,1-2H3,(H,26,27,28)