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

Systemtic Name: 3-(2-bromophenyl)-7-methylsulfanyl-1-[4-(oxan-2-yloxymethyl)phenyl]-4H-pyrimido[4,5-d]pyrimidin-2-one Openeye Name: 3-(2-bromophenyl)-7-methylsulfanyl-1-[4-(tetrahydropyran-2-yloxymethyl)phenyl]-4H-pyrimido[4,5-d]pyrimidin-2-one CAS Name: 3-(2-bromophenyl)-7-(methylthio)-1-[4-(2-oxanyloxymethyl)phenyl]-4H-pyrimido[4,5-d]pyrimidin-2-one IUPAC Name: 3-(2-bromophenyl)-7-methylsulfanyl-1-[4-(oxan-2-yloxymethyl)phenyl]-4H-pyrimido[4,5-d]pyrimidin-2-one Traditional Name: 3-(2-bromophenyl)-7-(methylthio)-1-[4-(tetrahydropyran-2-yloxymethyl)phenyl]-4H-pyrimido[4,5-d]pyrimidin-2-one Formula: C25H25BrN4O3S MolecularWeight: 541.46

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C2CN(C(=O)N(C2=N1)C3=CC=C(C=C3)COC4CCCCO4)C5=CC=CC=C5Br

Isomeric SMILES

CSC1=NC=C2CN(C(=O)N(C2=N1)C3=CC=C(C=C3)COC4CCCCO4)C5=CC=CC=C5Br

InChI

InChI=1S/C25H25BrN4O3S/c1-34-24-27-14-18-15-29(21-7-3-2-6-20(21)26)25(31)30(23(18)28-24)19-11-9-17(10-12-19)16-33-22-8-4-5-13-32-22/h2-3,6-7,9-12,14,22H,4-5,8,13,15-16H2,1H3