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

Systemtic Name: 5-[[3-(2-bromophenyl)-1-methyl-2-oxidanylidene-4H-pyrimido[4,5-d]pyrimidin-7-yl]amino]-2-methyl-isoindole-1,3-dione Openeye Name: 5-[[3-(2-bromophenyl)-1-methyl-2-oxo-4H-pyrimido[4,5-d]pyrimidin-7-yl]amino]-2-methyl-isoindoline-1,3-dione CAS Name: 5-[[3-(2-bromophenyl)-1-methyl-2-oxo-4H-pyrimido[4,5-d]pyrimidin-7-yl]amino]-2-methylisoindole-1,3-dione IUPAC Name: 5-[[3-(2-bromophenyl)-1-methyl-2-oxo-4H-pyrimido[4,5-d]pyrimidin-7-yl]amino]-2-methylisoindole-1,3-dione Traditional Name: 5-[[3-(2-bromophenyl)-2-keto-1-methyl-4H-pyrimido[4,5-d]pyrimidin-7-yl]amino]-2-methyl-isoindoline-1,3-quinone Formula: C22H17BrN6O3 MolecularWeight: 493.31278

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=NC(=NC=C2CN(C1=O)C3=CC=CC=C3Br)NC4=CC5=C(C=C4)C(=O)N(C5=O)C

Isomeric SMILES

CN1C2=NC(=NC=C2CN(C1=O)C3=CC=CC=C3Br)NC4=CC5=C(C=C4)C(=O)N(C5=O)C

InChI

InChI=1S/C22H17BrN6O3/c1-27-18-12(11-29(22(27)32)17-6-4-3-5-16(17)23)10-24-21(26-18)25-13-7-8-14-15(9-13)20(31)28(2)19(14)30/h3-10H,11H2,1-2H3,(H,24,25,26)