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

Systemtic Name: 1-[3-(1-azanyl-2-methyl-propan-2-yl)phenyl]-3-(2-bromophenyl)-7-phenylazanyl-4H-pyrimido[4,5-d]pyrimidin-2-one Openeye Name: 1-[3-(2-amino-1,1-dimethyl-ethyl)phenyl]-7-anilino-3-(2-bromophenyl)-4H-pyrimido[4,5-d]pyrimidin-2-one CAS Name: 1-[3-(1-amino-2-methylpropan-2-yl)phenyl]-7-anilino-3-(2-bromophenyl)-4H-pyrimido[4,5-d]pyrimidin-2-one IUPAC Name: 1-[3-(1-amino-2-methylpropan-2-yl)phenyl]-7-anilino-3-(2-bromophenyl)-4H-pyrimido[4,5-d]pyrimidin-2-one Traditional Name: 1-[3-(2-amino-1,1-dimethyl-ethyl)phenyl]-7-anilino-3-(2-bromophenyl)-4H-pyrimido[4,5-d]pyrimidin-2-one Formula: C28H27BrN6O MolecularWeight: 543.45758

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CN)C1=CC(=CC=C1)N2C3=NC(=NC=C3CN(C2=O)C4=CC=CC=C4Br)NC5=CC=CC=C5

Isomeric SMILES

CC(C)(CN)C1=CC(=CC=C1)N2C3=NC(=NC=C3CN(C2=O)C4=CC=CC=C4Br)NC5=CC=CC=C5

InChI

InChI=1S/C28H27BrN6O/c1-28(2,18-30)20-9-8-12-22(15-20)35-25-19(16-31-26(33-25)32-21-10-4-3-5-11-21)17-34(27(35)36)24-14-7-6-13-23(24)29/h3-16H,17-18,30H2,1-2H3,(H,31,32,33)