3-[[3-(2-bromophenyl)-2-oxidanylidene-7-phenylazanyl-4H-pyrimido[4,5-d]pyrimidin-1-yl]methyl]benzoic acid

Systemtic Name: 3-[[3-(2-bromophenyl)-2-oxidanylidene-7-phenylazanyl-4H-pyrimido[4,5-d]pyrimidin-1-yl]methyl]benzoic acid Openeye Name: 3-[[7-anilino-3-(2-bromophenyl)-2-oxo-4H-pyrimido[4,5-d]pyrimidin-1-yl]methyl]benzoic acid CAS Name: 3-[[7-anilino-3-(2-bromophenyl)-2-oxo-4H-pyrimido[4,5-d]pyrimidin-1-yl]methyl]benzoic acid IUPAC Name: 3-[[7-anilino-3-(2-bromophenyl)-2-oxo-4H-pyrimido[4,5-d]pyrimidin-1-yl]methyl]benzoic acid Traditional Name: 3-[[7-anilino-3-(2-bromophenyl)-2-keto-4H-pyrimido[4,5-d]pyrimidin-1-yl]methyl]benzoic acid Formula: C26H20BrN5O3 MolecularWeight: 530.3727

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CN=C(N=C2N(C(=O)N1C3=CC=CC=C3Br)CC4=CC=CC(=C4)C(=O)O)NC5=CC=CC=C5

Isomeric SMILES

C1C2=CN=C(N=C2N(C(=O)N1C3=CC=CC=C3Br)CC4=CC=CC(=C4)C(=O)O)NC5=CC=CC=C5

InChI

InChI=1S/C26H20BrN5O3/c27-21-11-4-5-12-22(21)31-16-19-14-28-25(29-20-9-2-1-3-10-20)30-23(19)32(26(31)35)15-17-7-6-8-18(13-17)24(33)34/h1-14H,15-16H2,(H,33,34)(H,28,29,30)