3-(2-bromophenyl)-1-methyl-7-methylsulfonyl-pyrimido[4,5-e][1,3,4]oxadiazine

Systemtic Name: 3-(2-bromophenyl)-1-methyl-7-methylsulfonyl-pyrimido[4,5-e][1,3,4]oxadiazine Openeye Name: 3-(2-bromophenyl)-1-methyl-7-methylsulfonyl-pyrimido[4,5-e][1,3,4]oxadiazine CAS Name: 3-(2-bromophenyl)-1-methyl-7-methylsulfonylpyrimido[4,5-e][1,3,4]oxadiazine IUPAC Name: 3-(2-bromophenyl)-1-methyl-7-methylsulfonylpyrimido[4,5-e][1,3,4]oxadiazine Traditional Name: 3-(2-bromophenyl)-7-mesyl-1-methyl-pyrimido[4,5-e][1,3,4]oxadiazine Formula: C13H11BrN4O3S MolecularWeight: 383.22044

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=NC(=NC=C2OC(=N1)C3=CC=CC=C3Br)S(=O)(=O)C

Isomeric SMILES

CN1C2=NC(=NC=C2OC(=N1)C3=CC=CC=C3Br)S(=O)(=O)C

InChI

InChI=1S/C13H11BrN4O3S/c1-18-11-10(7-15-13(16-11)22(2,19)20)21-12(17-18)8-5-3-4-6-9(8)14/h3-7H,1-2H3