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

Systemtic Name: 3-(3-bromophenyl)-1-methyl-7-methylsulfonyl-4H-pyrimido[4,5-d]pyrimidin-2-one Openeye Name: 3-(3-bromophenyl)-1-methyl-7-methylsulfonyl-4H-pyrimido[4,5-d]pyrimidin-2-one CAS Name: 3-(3-bromophenyl)-1-methyl-7-methylsulfonyl-4H-pyrimido[4,5-d]pyrimidin-2-one IUPAC Name: 3-(3-bromophenyl)-1-methyl-7-methylsulfonyl-4H-pyrimido[4,5-d]pyrimidin-2-one Traditional Name: 3-(3-bromophenyl)-7-mesyl-1-methyl-4H-pyrimido[4,5-d]pyrimidin-2-one Formula: C14H13BrN4O3S MolecularWeight: 397.24702

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=NC(=NC=C2CN(C1=O)C3=CC(=CC=C3)Br)S(=O)(=O)C

Isomeric SMILES

CN1C2=NC(=NC=C2CN(C1=O)C3=CC(=CC=C3)Br)S(=O)(=O)C

InChI

InChI=1S/C14H13BrN4O3S/c1-18-12-9(7-16-13(17-12)23(2,21)22)8-19(14(18)20)11-5-3-4-10(15)6-11/h3-7H,8H2,1-2H3