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

Systemtic Name: 1-chloranyl-8-methoxy-5-methyl-6-propan-2-ylsulfonyl-10,12-dihydropyrimido[4,5-b][1,4]benzodiazocin-11-one Openeye Name: 1-chloro-6-isopropylsulfonyl-8-methoxy-5-methyl-10,12-dihydropyrimido[4,5-b][1,4]benzodiazocin-11-one CAS Name: 1-chloro-8-methoxy-5-methyl-6-propan-2-ylsulfonyl-10,12-dihydropyrimido[4,5-b][1,4]benzodiazocin-11-one IUPAC Name: 1-chloro-8-methoxy-5-methyl-6-propan-2-ylsulfonyl-10,12-dihydropyrimido[4,5-b][1,4]benzodiazocin-11-one Traditional Name: 1-chloro-6-isopropylsulfonyl-8-methoxy-5-methyl-10,12-dihydropyrimido[4,5-b][1,4]benzodiazocin-11-one Formula: C17H19ClN4O4S MolecularWeight: 410.87516

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19ClN4O4S/c1-9(2)27(24,25)12-7-11(26-4)5-10-6-13(23)21-14-16(18)19-8-20-17(14)22(3)15(10)12/h5,7-9H,6H2,1-4H3,(H,21,23)