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

Systemtic Name: 2-(1-chloranyl-5-methyl-11-methylsulfanyl-8-propan-2-ylsulfonyl-10H-pyrimido[4,5-b][1,4]benzodiazocin-6-yl)phenol Openeye Name: 2-(1-chloro-8-isopropylsulfonyl-5-methyl-11-methylsulfanyl-10H-pyrimido[4,5-b][1,4]benzodiazocin-6-yl)phenol CAS Name: 2-[1-chloro-5-methyl-11-(methylthio)-8-propan-2-ylsulfonyl-10H-pyrimido[4,5-b][1,4]benzodiazocin-6-yl]phenol IUPAC Name: 2-(1-chloro-5-methyl-11-methylsulfanyl-8-propan-2-ylsulfonyl-10H-pyrimido[4,5-b][1,4]benzodiazocin-6-yl)phenol Traditional Name: 2-[1-chloro-8-isopropylsulfonyl-5-methyl-11-(methylthio)-10H-pyrimido[4,5-b][1,4]benzodiazocin-6-yl]phenol Formula: C23H23ClN4O3S2 MolecularWeight: 503.03672

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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)SC)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)SC)C

InChI

InChI=1S/C23H23ClN4O3S2/c1-13(2)33(30,31)15-9-14-10-19(32-4)27-20-22(24)25-12-26-23(20)28(3)21(14)17(11-15)16-7-5-6-8-18(16)29/h5-9,11-13,29H,10H2,1-4H3