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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1=CC2=C(C(=C1)C3=CC=CC=C3O)N(C4=C(C(=NC=N4)Cl)N=C(C2)Br)C

Isomeric SMILES

CC(C)S(=O)(=O)C1=CC2=C(C(=C1)C3=CC=CC=C3O)N(C4=C(C(=NC=N4)Cl)N=C(C2)Br)C

InChI

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