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

Systemtic Name: 3-(2-bromophenyl)-1-[3-(2-methyl-1-oxidanyl-propan-2-yl)phenyl]-7-phenylazanyl-4H-pyrimido[4,5-d]pyrimidin-2-one Openeye Name: 7-anilino-3-(2-bromophenyl)-1-[3-(2-hydroxy-1,1-dimethyl-ethyl)phenyl]-4H-pyrimido[4,5-d]pyrimidin-2-one CAS Name: 7-anilino-3-(2-bromophenyl)-1-[3-(1-hydroxy-2-methylpropan-2-yl)phenyl]-4H-pyrimido[4,5-d]pyrimidin-2-one IUPAC Name: 7-anilino-3-(2-bromophenyl)-1-[3-(1-hydroxy-2-methylpropan-2-yl)phenyl]-4H-pyrimido[4,5-d]pyrimidin-2-one Traditional Name: 7-anilino-3-(2-bromophenyl)-1-[3-(2-hydroxy-1,1-dimethyl-ethyl)phenyl]-4H-pyrimido[4,5-d]pyrimidin-2-one Formula: C28H26BrN5O2 MolecularWeight: 544.44234

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H26BrN5O2/c1-28(2,18-35)20-9-8-12-22(15-20)34-25-19(16-30-26(32-25)31-21-10-4-3-5-11-21)17-33(27(34)36)24-14-7-6-13-23(24)29/h3-16,35H,17-18H2,1-2H3,(H,30,31,32)