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

Systemtic Name: 1,8-bis(chloranyl)-5-methyl-11-propan-2-ylsulfonyl-10H-pyrimido[4,5-b][1,4]benzodiazocin-6-ol Openeye Name: 1,8-dichloro-11-isopropylsulfonyl-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocin-6-ol CAS Name: 1,8-dichloro-5-methyl-11-propan-2-ylsulfonyl-10H-pyrimido[4,5-b][1,4]benzodiazocin-6-ol IUPAC Name: 1,8-dichloro-5-methyl-11-propan-2-ylsulfonyl-10H-pyrimido[4,5-b][1,4]benzodiazocin-6-ol Traditional Name: 1,8-dichloro-11-isopropylsulfonyl-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocin-6-ol Formula: C16H16Cl2N4O3S MolecularWeight: 415.29424

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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)O)C

Isomeric SMILES

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

InChI

InChI=1S/C16H16Cl2N4O3S/c1-8(2)26(24,25)12-5-9-4-10(17)6-11(23)14(9)22(3)16-13(21-12)15(18)19-7-20-16/h4,6-8,23H,5H2,1-3H3