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

Systemtic Name: 1-chloranyl-8-iodanyl-5-methyl-6-propan-2-ylsulfonyl-10,12-dihydropyrimido[4,5-b][1,4]benzodiazocin-11-one Openeye Name: 1-chloro-8-iodo-6-isopropylsulfonyl-5-methyl-10,12-dihydropyrimido[4,5-b][1,4]benzodiazocin-11-one CAS Name: 1-chloro-8-iodo-5-methyl-6-propan-2-ylsulfonyl-10,12-dihydropyrimido[4,5-b][1,4]benzodiazocin-11-one IUPAC Name: 1-chloro-8-iodo-5-methyl-6-propan-2-ylsulfonyl-10,12-dihydropyrimido[4,5-b][1,4]benzodiazocin-11-one Traditional Name: 1-chloro-8-iodo-6-isopropylsulfonyl-5-methyl-10,12-dihydropyrimido[4,5-b][1,4]benzodiazocin-11-one Formula: C16H16ClIN4O3S MolecularWeight: 506.74571

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16ClIN4O3S/c1-8(2)26(24,25)11-6-10(18)4-9-5-12(23)21-13-15(17)19-7-20-16(13)22(3)14(9)11/h4,6-8H,5H2,1-3H3,(H,21,23)