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

Systemtic Name: 3-(2-bromophenyl)-1-[4-(hydroxymethyl)phenyl]-7-methylsulfanyl-4H-pyrimido[4,5-d]pyrimidin-2-one Openeye Name: 3-(2-bromophenyl)-1-[4-(hydroxymethyl)phenyl]-7-methylsulfanyl-4H-pyrimido[4,5-d]pyrimidin-2-one CAS Name: 3-(2-bromophenyl)-1-[4-(hydroxymethyl)phenyl]-7-(methylthio)-4H-pyrimido[4,5-d]pyrimidin-2-one IUPAC Name: 3-(2-bromophenyl)-1-[4-(hydroxymethyl)phenyl]-7-methylsulfanyl-4H-pyrimido[4,5-d]pyrimidin-2-one Traditional Name: 3-(2-bromophenyl)-1-(4-methylolphenyl)-7-(methylthio)-4H-pyrimido[4,5-d]pyrimidin-2-one Formula: C20H17BrN4O2S MolecularWeight: 457.34358

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C2CN(C(=O)N(C2=N1)C3=CC=C(C=C3)CO)C4=CC=CC=C4Br

Isomeric SMILES

CSC1=NC=C2CN(C(=O)N(C2=N1)C3=CC=C(C=C3)CO)C4=CC=CC=C4Br

InChI

InChI=1S/C20H17BrN4O2S/c1-28-19-22-10-14-11-24(17-5-3-2-4-16(17)21)20(27)25(18(14)23-19)15-8-6-13(12-26)7-9-15/h2-10,26H,11-12H2,1H3