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

Systemtic Name: 1,8-bis(chloranyl)-6-methoxy-5-methyl-11-propan-2-ylsulfonyl-10H-pyrimido[4,5-b][1,4]benzodiazocine Openeye Name: 1,8-dichloro-11-isopropylsulfonyl-6-methoxy-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocine CAS Name: 1,8-dichloro-6-methoxy-5-methyl-11-propan-2-ylsulfonyl-10H-pyrimido[4,5-b][1,4]benzodiazocine IUPAC Name: 1,8-dichloro-6-methoxy-5-methyl-11-propan-2-ylsulfonyl-10H-pyrimido[4,5-b][1,4]benzodiazocine Traditional Name: 1,8-dichloro-11-isopropylsulfonyl-6-methoxy-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocine Formula: C17H18Cl2N4O3S MolecularWeight: 429.32082

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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)Cl)OC)C

Isomeric SMILES

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

InChI

InChI=1S/C17H18Cl2N4O3S/c1-9(2)27(24,25)13-6-10-5-11(18)7-12(26-4)15(10)23(3)17-14(22-13)16(19)20-8-21-17/h5,7-9H,6H2,1-4H3