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

Systemtic Name: 11-bromanyl-1-chloranyl-5-methyl-8-(phenylmethyl)-6-propan-2-ylsulfonyl-10H-pyrimido[4,5-b][1,4]benzodiazocine Openeye Name: 8-benzyl-11-bromo-1-chloro-6-isopropylsulfonyl-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocine CAS Name: 11-bromo-1-chloro-5-methyl-8-(phenylmethyl)-6-propan-2-ylsulfonyl-10H-pyrimido[4,5-b][1,4]benzodiazocine IUPAC Name: 8-benzyl-11-bromo-1-chloro-5-methyl-6-propan-2-ylsulfonyl-10H-pyrimido[4,5-b][1,4]benzodiazocine Traditional Name: 8-benzyl-11-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)CC3=CC=CC=C3)CC(=NC4=C(N2C)N=CN=C4Cl)Br

Isomeric SMILES

CC(C)S(=O)(=O)C1=C2C(=CC(=C1)CC3=CC=CC=C3)CC(=NC4=C(N2C)N=CN=C4Cl)Br

InChI

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