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

Systemtic Name: 3-(2-bromophenyl)-1-[3-(2-hydroxyethyl)phenyl]-7-methylsulfanyl-4H-pyrimido[4,5-d]pyrimidin-2-one Openeye Name: 3-(2-bromophenyl)-1-[3-(2-hydroxyethyl)phenyl]-7-methylsulfanyl-4H-pyrimido[4,5-d]pyrimidin-2-one CAS Name: 3-(2-bromophenyl)-1-[3-(2-hydroxyethyl)phenyl]-7-(methylthio)-4H-pyrimido[4,5-d]pyrimidin-2-one IUPAC Name: 3-(2-bromophenyl)-1-[3-(2-hydroxyethyl)phenyl]-7-methylsulfanyl-4H-pyrimido[4,5-d]pyrimidin-2-one Traditional Name: 3-(2-bromophenyl)-1-[3-(2-hydroxyethyl)phenyl]-7-(methylthio)-4H-pyrimido[4,5-d]pyrimidin-2-one Formula: C21H19BrN4O2S MolecularWeight: 471.37016

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19BrN4O2S/c1-29-20-23-12-15-13-25(18-8-3-2-7-17(18)22)21(28)26(19(15)24-20)16-6-4-5-14(11-16)9-10-27/h2-8,11-12,27H,9-10,13H2,1H3