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

Systemtic Name: 1-[3-(aminomethyl)phenyl]-3-(2-bromophenyl)-7-phenylazanyl-4H-pyrimido[4,5-d]pyrimidin-2-one Openeye Name: 1-[3-(aminomethyl)phenyl]-7-anilino-3-(2-bromophenyl)-4H-pyrimido[4,5-d]pyrimidin-2-one CAS Name: 1-[3-(aminomethyl)phenyl]-7-anilino-3-(2-bromophenyl)-4H-pyrimido[4,5-d]pyrimidin-2-one IUPAC Name: 1-[3-(aminomethyl)phenyl]-7-anilino-3-(2-bromophenyl)-4H-pyrimido[4,5-d]pyrimidin-2-one Traditional Name: 1-[3-(aminomethyl)phenyl]-7-anilino-3-(2-bromophenyl)-4H-pyrimido[4,5-d]pyrimidin-2-one Formula: C25H21BrN6O MolecularWeight: 501.37784

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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)CN)NC5=CC=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C25H21BrN6O/c26-21-11-4-5-12-22(21)31-16-18-15-28-24(29-19-8-2-1-3-9-19)30-23(18)32(25(31)33)20-10-6-7-17(13-20)14-27/h1-13,15H,14,16,27H2,(H,28,29,30)