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

Systemtic Name: 1,11-bis(chloranyl)-8-iodanyl-5-methyl-6-propan-2-ylsulfonyl-10H-pyrimido[4,5-b][1,4]benzodiazocine Openeye Name: 1,11-dichloro-8-iodo-6-isopropylsulfonyl-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocine CAS Name: 1,11-dichloro-8-iodo-5-methyl-6-propan-2-ylsulfonyl-10H-pyrimido[4,5-b][1,4]benzodiazocine IUPAC Name: 1,11-dichloro-8-iodo-5-methyl-6-propan-2-ylsulfonyl-10H-pyrimido[4,5-b][1,4]benzodiazocine Traditional Name: 1,11-dichloro-8-iodo-6-isopropylsulfonyl-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocine Formula: C16H15Cl2IN4O2S MolecularWeight: 525.19137

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15Cl2IN4O2S/c1-8(2)26(24,25)11-6-10(19)4-9-5-12(17)22-13-15(18)20-7-21-16(13)23(3)14(9)11/h4,6-8H,5H2,1-3H3