8-bromanyl-1-chloranyl-6-methoxy-5-methyl-11-(phenylsulfonyl)-10H-pyrimido[4,5-b][1,4]benzodiazocine

Systemtic Name: 8-bromanyl-1-chloranyl-6-methoxy-5-methyl-11-(phenylsulfonyl)-10H-pyrimido[4,5-b][1,4]benzodiazocine Openeye Name: 11-(benzenesulfonyl)-8-bromo-1-chloro-6-methoxy-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocine CAS Name: 11-(benzenesulfonyl)-8-bromo-1-chloro-6-methoxy-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocine IUPAC Name: 11-(benzenesulfonyl)-8-bromo-1-chloro-6-methoxy-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocine Traditional Name: 11-besyl-8-bromo-1-chloro-6-methoxy-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocine Formula: C20H16BrClN4O3S MolecularWeight: 507.78804

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2CC(=NC3=C1N=CN=C3Cl)S(=O)(=O)C4=CC=CC=C4)Br)OC

Isomeric SMILES

CN1C2=C(C=C(C=C2CC(=NC3=C1N=CN=C3Cl)S(=O)(=O)C4=CC=CC=C4)Br)OC

InChI

InChI=1S/C20H16BrClN4O3S/c1-26-18-12(8-13(21)10-15(18)29-2)9-16(25-17-19(22)23-11-24-20(17)26)30(27,28)14-6-4-3-5-7-14/h3-8,10-11H,9H2,1-2H3