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

Systemtic Name: methyl 3-[[3-(2-bromophenyl)-2-oxidanylidene-7-phenylazanyl-4H-pyrimido[4,5-d]pyrimidin-1-yl]methyl]benzoate Openeye Name: methyl 3-[[7-anilino-3-(2-bromophenyl)-2-oxo-4H-pyrimido[4,5-d]pyrimidin-1-yl]methyl]benzoate CAS Name: 3-[[7-anilino-3-(2-bromophenyl)-2-oxo-4H-pyrimido[4,5-d]pyrimidin-1-yl]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[7-anilino-3-(2-bromophenyl)-2-oxo-4H-pyrimido[4,5-d]pyrimidin-1-yl]methyl]benzoate Traditional Name: 3-[[7-anilino-3-(2-bromophenyl)-2-keto-4H-pyrimido[4,5-d]pyrimidin-1-yl]methyl]benzoic acid methyl ester Formula: C27H22BrN5O3 MolecularWeight: 544.39928

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)CN2C3=NC(=NC=C3CN(C2=O)C4=CC=CC=C4Br)NC5=CC=CC=C5

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)CN2C3=NC(=NC=C3CN(C2=O)C4=CC=CC=C4Br)NC5=CC=CC=C5

InChI

InChI=1S/C27H22BrN5O3/c1-36-25(34)19-9-7-8-18(14-19)16-33-24-20(15-29-26(31-24)30-21-10-3-2-4-11-21)17-32(27(33)35)23-13-6-5-12-22(23)28/h2-15H,16-17H2,1H3,(H,29,30,31)