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

Systemtic Name: 1-chloranyl-5-methyl-8,11-bis(propan-2-ylsulfonyl)-10H-pyrimido[4,5-b][1,4]benzodiazocin-6-ol Openeye Name: 1-chloro-8,11-bis(isopropylsulfonyl)-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocin-6-ol CAS Name: 1-chloro-5-methyl-8,11-bis(propan-2-ylsulfonyl)-10H-pyrimido[4,5-b][1,4]benzodiazocin-6-ol IUPAC Name: 1-chloro-5-methyl-8,11-bis(propan-2-ylsulfonyl)-10H-pyrimido[4,5-b][1,4]benzodiazocin-6-ol Traditional Name: 1-chloro-8,11-bis(isopropylsulfonyl)-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocin-6-ol Formula: C19H23ClN4O5S2 MolecularWeight: 486.99272

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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)S(=O)(=O)C(C)C)O)C

Isomeric SMILES

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

InChI

InChI=1S/C19H23ClN4O5S2/c1-10(2)30(26,27)13-6-12-7-15(31(28,29)11(3)4)23-16-18(20)21-9-22-19(16)24(5)17(12)14(25)8-13/h6,8-11,25H,7H2,1-5H3