3-(2-bromophenyl)-1-[3-(hydroxymethyl)phenyl]-7-phenylazanyl-4H-pyrimido[4,5-d]pyrimidin-2-one

Systemtic Name: 3-(2-bromophenyl)-1-[3-(hydroxymethyl)phenyl]-7-phenylazanyl-4H-pyrimido[4,5-d]pyrimidin-2-one Openeye Name: 7-anilino-3-(2-bromophenyl)-1-[3-(hydroxymethyl)phenyl]-4H-pyrimido[4,5-d]pyrimidin-2-one CAS Name: 7-anilino-3-(2-bromophenyl)-1-[3-(hydroxymethyl)phenyl]-4H-pyrimido[4,5-d]pyrimidin-2-one IUPAC Name: 7-anilino-3-(2-bromophenyl)-1-[3-(hydroxymethyl)phenyl]-4H-pyrimido[4,5-d]pyrimidin-2-one Traditional Name: 7-anilino-3-(2-bromophenyl)-1-(3-methylolphenyl)-4H-pyrimido[4,5-d]pyrimidin-2-one Formula: C25H20BrN5O2 MolecularWeight: 502.3626

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CN=C(N=C2N(C(=O)N1C3=CC=CC=C3Br)C4=CC=CC(=C4)CO)NC5=CC=CC=C5

Isomeric SMILES

C1C2=CN=C(N=C2N(C(=O)N1C3=CC=CC=C3Br)C4=CC=CC(=C4)CO)NC5=CC=CC=C5

InChI

InChI=1S/C25H20BrN5O2/c26-21-11-4-5-12-22(21)30-15-18-14-27-24(28-19-8-2-1-3-9-19)29-23(18)31(25(30)33)20-10-6-7-17(13-20)16-32/h1-14,32H,15-16H2,(H,27,28,29)