3-(2-bromophenyl)-1-[3-(hydroxymethyl)phenyl]-7-methylsulfonyl-4H-pyrimido[4,5-d]pyrimidin-2-one

Systemtic Name: 3-(2-bromophenyl)-1-[3-(hydroxymethyl)phenyl]-7-methylsulfonyl-4H-pyrimido[4,5-d]pyrimidin-2-one Openeye Name: 3-(2-bromophenyl)-1-[3-(hydroxymethyl)phenyl]-7-methylsulfonyl-4H-pyrimido[4,5-d]pyrimidin-2-one CAS Name: 3-(2-bromophenyl)-1-[3-(hydroxymethyl)phenyl]-7-methylsulfonyl-4H-pyrimido[4,5-d]pyrimidin-2-one IUPAC Name: 3-(2-bromophenyl)-1-[3-(hydroxymethyl)phenyl]-7-methylsulfonyl-4H-pyrimido[4,5-d]pyrimidin-2-one Traditional Name: 3-(2-bromophenyl)-7-mesyl-1-(3-methylolphenyl)-4H-pyrimido[4,5-d]pyrimidin-2-one Formula: C20H17BrN4O4S MolecularWeight: 489.34238

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=NC=C2CN(C(=O)N(C2=N1)C3=CC=CC(=C3)CO)C4=CC=CC=C4Br

Isomeric SMILES

CS(=O)(=O)C1=NC=C2CN(C(=O)N(C2=N1)C3=CC=CC(=C3)CO)C4=CC=CC=C4Br

InChI

InChI=1S/C20H17BrN4O4S/c1-30(28,29)19-22-10-14-11-24(17-8-3-2-7-16(17)21)20(27)25(18(14)23-19)15-6-4-5-13(9-15)12-26/h2-10,26H,11-12H2,1H3