3-(2-bromophenyl)-1-methyl-7-[(2-methyl-1,3-dihydroisoindol-5-yl)amino]-4H-pyrimido[4,5-d]pyrimidin-2-one

Systemtic Name: 3-(2-bromophenyl)-1-methyl-7-[(2-methyl-1,3-dihydroisoindol-5-yl)amino]-4H-pyrimido[4,5-d]pyrimidin-2-one Openeye Name: 3-(2-bromophenyl)-1-methyl-7-[(2-methylisoindolin-5-yl)amino]-4H-pyrimido[4,5-d]pyrimidin-2-one CAS Name: 3-(2-bromophenyl)-1-methyl-7-[(2-methyl-1,3-dihydroisoindol-5-yl)amino]-4H-pyrimido[4,5-d]pyrimidin-2-one IUPAC Name: 3-(2-bromophenyl)-1-methyl-7-[(2-methyl-1,3-dihydroisoindol-5-yl)amino]-4H-pyrimido[4,5-d]pyrimidin-2-one Traditional Name: 3-(2-bromophenyl)-1-methyl-7-[(2-methylisoindolin-5-yl)amino]-4H-pyrimido[4,5-d]pyrimidin-2-one Formula: C22H21BrN6O MolecularWeight: 465.34574

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC2=C(C1)C=C(C=C2)NC3=NC=C4CN(C(=O)N(C4=N3)C)C5=CC=CC=C5Br

Isomeric SMILES

CN1CC2=C(C1)C=C(C=C2)NC3=NC=C4CN(C(=O)N(C4=N3)C)C5=CC=CC=C5Br

InChI

InChI=1S/C22H21BrN6O/c1-27-11-14-7-8-17(9-15(14)12-27)25-21-24-10-16-13-29(19-6-4-3-5-18(19)23)22(30)28(2)20(16)26-21/h3-10H,11-13H2,1-2H3,(H,24,25,26)