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

Systemtic Name: 1-chloranyl-5-methyl-11-propan-2-ylsulfonyl-10H-pyrimido[4,5-b][1,4]benzodiazocine-6,8-diol Openeye Name: 1-chloro-11-isopropylsulfonyl-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocine-6,8-diol CAS Name: 1-chloro-5-methyl-11-propan-2-ylsulfonyl-10H-pyrimido[4,5-b][1,4]benzodiazocine-6,8-diol IUPAC Name: 1-chloro-5-methyl-11-propan-2-ylsulfonyl-10H-pyrimido[4,5-b][1,4]benzodiazocine-6,8-diol Traditional Name: 1-chloro-11-isopropylsulfonyl-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocine-6,8-diol Formula: C16H17ClN4O4S MolecularWeight: 396.84858

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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)O)O)C

Isomeric SMILES

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

InChI

InChI=1S/C16H17ClN4O4S/c1-8(2)26(24,25)12-5-9-4-10(22)6-11(23)14(9)21(3)16-13(20-12)15(17)18-7-19-16/h4,6-8,22-23H,5H2,1-3H3