8-bromanyl-1-chloranyl-11-ethoxy-5-methyl-6-methylsulfanyl-10H-pyrimido[4,5-b][1,4]benzodiazocine

Systemtic Name: 8-bromanyl-1-chloranyl-11-ethoxy-5-methyl-6-methylsulfanyl-10H-pyrimido[4,5-b][1,4]benzodiazocine Openeye Name: 8-bromo-1-chloro-11-ethoxy-5-methyl-6-methylsulfanyl-10H-pyrimido[4,5-b][1,4]benzodiazocine CAS Name: 8-bromo-1-chloro-11-ethoxy-5-methyl-6-(methylthio)-10H-pyrimido[4,5-b][1,4]benzodiazocine IUPAC Name: 8-bromo-1-chloro-11-ethoxy-5-methyl-6-methylsulfanyl-10H-pyrimido[4,5-b][1,4]benzodiazocine Traditional Name: 8-bromo-1-chloro-11-ethoxy-5-methyl-6-(methylthio)-10H-pyrimido[4,5-b][1,4]benzodiazocine Formula: C16H16BrClN4OS MolecularWeight: 427.74644

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NC2=C(N=CN=C2Cl)N(C3=C(C=C(C=C3C1)Br)SC)C

Isomeric SMILES

CCOC1=NC2=C(N=CN=C2Cl)N(C3=C(C=C(C=C3C1)Br)SC)C

InChI

InChI=1S/C16H16BrClN4OS/c1-4-23-12-6-9-5-10(17)7-11(24-3)14(9)22(2)16-13(21-12)15(18)19-8-20-16/h5,7-8H,4,6H2,1-3H3