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

Systemtic Name: methyl 3-[[3-(2-bromophenyl)-2-oxidanylidene-7-(phenylmethyl)sulfonyl-4H-pyrimido[4,5-d]pyrimidin-1-yl]methyl]benzoate Openeye Name: methyl 3-[[7-benzylsulfonyl-3-(2-bromophenyl)-2-oxo-4H-pyrimido[4,5-d]pyrimidin-1-yl]methyl]benzoate CAS Name: 3-[[3-(2-bromophenyl)-2-oxo-7-(phenylmethyl)sulfonyl-4H-pyrimido[4,5-d]pyrimidin-1-yl]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[7-benzylsulfonyl-3-(2-bromophenyl)-2-oxo-4H-pyrimido[4,5-d]pyrimidin-1-yl]methyl]benzoate Traditional Name: 3-[[7-benzylsulfonyl-3-(2-bromophenyl)-2-keto-4H-pyrimido[4,5-d]pyrimidin-1-yl]methyl]benzoic acid methyl ester Formula: C28H23BrN4O5S MolecularWeight: 607.47502

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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)S(=O)(=O)CC5=CC=CC=C5

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)CN2C3=NC(=NC=C3CN(C2=O)C4=CC=CC=C4Br)S(=O)(=O)CC5=CC=CC=C5

InChI

InChI=1S/C28H23BrN4O5S/c1-38-26(34)21-11-7-10-20(14-21)16-33-25-22(17-32(28(33)35)24-13-6-5-12-23(24)29)15-30-27(31-25)39(36,37)18-19-8-3-2-4-9-19/h2-15H,16-18H2,1H3