11-bromanyl-1-chloranyl-5-methyl-8-propan-2-ylsulfonyl-10H-pyrimido[4,5-b][1,4]benzodiazocin-6-ol

Systemtic Name: 11-bromanyl-1-chloranyl-5-methyl-8-propan-2-ylsulfonyl-10H-pyrimido[4,5-b][1,4]benzodiazocin-6-ol Openeye Name: 11-bromo-1-chloro-8-isopropylsulfonyl-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocin-6-ol CAS Name: 11-bromo-1-chloro-5-methyl-8-propan-2-ylsulfonyl-10H-pyrimido[4,5-b][1,4]benzodiazocin-6-ol IUPAC Name: 11-bromo-1-chloro-5-methyl-8-propan-2-ylsulfonyl-10H-pyrimido[4,5-b][1,4]benzodiazocin-6-ol Traditional Name: 11-bromo-1-chloro-8-isopropylsulfonyl-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocin-6-ol Formula: C16H16BrClN4O3S MolecularWeight: 459.74524

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1=CC(=C2C(=C1)CC(=NC3=C(N2C)N=CN=C3Cl)Br)O

Isomeric SMILES

CC(C)S(=O)(=O)C1=CC(=C2C(=C1)CC(=NC3=C(N2C)N=CN=C3Cl)Br)O

InChI

InChI=1S/C16H16BrClN4O3S/c1-8(2)26(24,25)10-4-9-5-12(17)21-13-15(18)19-7-20-16(13)22(3)14(9)11(23)6-10/h4,6-8,23H,5H2,1-3H3