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

Systemtic Name: 8-bromanyl-1-chloranyl-5-methyl-11-(phenylmethyl)-6-propan-2-ylsulfonyl-10H-pyrimido[4,5-b][1,4]benzodiazocine Openeye Name: 11-benzyl-8-bromo-1-chloro-6-isopropylsulfonyl-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocine CAS Name: 8-bromo-1-chloro-5-methyl-11-(phenylmethyl)-6-propan-2-ylsulfonyl-10H-pyrimido[4,5-b][1,4]benzodiazocine IUPAC Name: 11-benzyl-8-bromo-1-chloro-5-methyl-6-propan-2-ylsulfonyl-10H-pyrimido[4,5-b][1,4]benzodiazocine Traditional Name: 11-benzyl-8-bromo-1-chloro-6-isopropylsulfonyl-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocine Formula: C23H22BrClN4O2S MolecularWeight: 533.86838

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1=C2C(=CC(=C1)Br)CC(=NC3=C(N2C)N=CN=C3Cl)CC4=CC=CC=C4

Isomeric SMILES

CC(C)S(=O)(=O)C1=C2C(=CC(=C1)Br)CC(=NC3=C(N2C)N=CN=C3Cl)CC4=CC=CC=C4

InChI

InChI=1S/C23H22BrClN4O2S/c1-14(2)32(30,31)19-12-17(24)10-16-11-18(9-15-7-5-4-6-8-15)28-20-22(25)26-13-27-23(20)29(3)21(16)19/h4-8,10,12-14H,9,11H2,1-3H3