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

Systemtic Name: 2-(11-bromanyl-1-chloranyl-5-methyl-6-propan-2-ylsulfonyl-10H-pyrimido[4,5-b][1,4]benzodiazocin-8-yl)phenol Openeye Name: 2-(11-bromo-1-chloro-6-isopropylsulfonyl-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocin-8-yl)phenol CAS Name: 2-(11-bromo-1-chloro-5-methyl-6-propan-2-ylsulfonyl-10H-pyrimido[4,5-b][1,4]benzodiazocin-8-yl)phenol IUPAC Name: 2-(11-bromo-1-chloro-5-methyl-6-propan-2-ylsulfonyl-10H-pyrimido[4,5-b][1,4]benzodiazocin-8-yl)phenol Traditional Name: 2-(11-bromo-1-chloro-6-isopropylsulfonyl-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocin-8-yl)phenol Formula: C22H20BrClN4O3S MolecularWeight: 535.8412

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1=CC(=CC2=C1N(C3=C(C(=NC=N3)Cl)N=C(C2)Br)C)C4=CC=CC=C4O

Isomeric SMILES

CC(C)S(=O)(=O)C1=CC(=CC2=C1N(C3=C(C(=NC=N3)Cl)N=C(C2)Br)C)C4=CC=CC=C4O

InChI

InChI=1S/C22H20BrClN4O3S/c1-12(2)32(30,31)17-9-13(15-6-4-5-7-16(15)29)8-14-10-18(23)27-19-21(24)25-11-26-22(19)28(3)20(14)17/h4-9,11-12,29H,10H2,1-3H3