6-bromanyl-1,8-bis(chloranyl)-5-methyl-11-propan-2-ylsulfonyl-10H-pyrimido[4,5-b][1,4]benzodiazocine

Systemtic Name: 6-bromanyl-1,8-bis(chloranyl)-5-methyl-11-propan-2-ylsulfonyl-10H-pyrimido[4,5-b][1,4]benzodiazocine Openeye Name: 6-bromo-1,8-dichloro-11-isopropylsulfonyl-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocine CAS Name: 6-bromo-1,8-dichloro-5-methyl-11-propan-2-ylsulfonyl-10H-pyrimido[4,5-b][1,4]benzodiazocine IUPAC Name: 6-bromo-1,8-dichloro-5-methyl-11-propan-2-ylsulfonyl-10H-pyrimido[4,5-b][1,4]benzodiazocine Traditional Name: 6-bromo-1,8-dichloro-11-isopropylsulfonyl-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocine Formula: C16H15BrCl2N4O2S MolecularWeight: 478.1909

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1=NC2=C(N=CN=C2Cl)N(C3=C(C=C(C=C3C1)Cl)Br)C

Isomeric SMILES

CC(C)S(=O)(=O)C1=NC2=C(N=CN=C2Cl)N(C3=C(C=C(C=C3C1)Cl)Br)C

InChI

InChI=1S/C16H15BrCl2N4O2S/c1-8(2)26(24,25)12-5-9-4-10(18)6-11(17)14(9)23(3)16-13(22-12)15(19)20-7-21-16/h4,6-8H,5H2,1-3H3