1-chloranyl-5-methyl-8-oxidanyl-6-propan-2-ylsulfonyl-10,12-dihydropyrimido[4,5-b][1,4]benzodiazocin-11-one

Systemtic Name: 1-chloranyl-5-methyl-8-oxidanyl-6-propan-2-ylsulfonyl-10,12-dihydropyrimido[4,5-b][1,4]benzodiazocin-11-one Openeye Name: 1-chloro-8-hydroxy-6-isopropylsulfonyl-5-methyl-10,12-dihydropyrimido[4,5-b][1,4]benzodiazocin-11-one CAS Name: 1-chloro-8-hydroxy-5-methyl-6-propan-2-ylsulfonyl-10,12-dihydropyrimido[4,5-b][1,4]benzodiazocin-11-one IUPAC Name: 1-chloro-8-hydroxy-5-methyl-6-propan-2-ylsulfonyl-10,12-dihydropyrimido[4,5-b][1,4]benzodiazocin-11-one Traditional Name: 1-chloro-8-hydroxy-6-isopropylsulfonyl-5-methyl-10,12-dihydropyrimido[4,5-b][1,4]benzodiazocin-11-one Formula: C16H17ClN4O4S MolecularWeight: 396.84858

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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