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

Systemtic Name: 8-bromanyl-1-chloranyl-6-ethoxy-5-methyl-11-methylsulfanyl-10H-pyrimido[4,5-b][1,4]benzodiazocine Openeye Name: 8-bromo-1-chloro-6-ethoxy-5-methyl-11-methylsulfanyl-10H-pyrimido[4,5-b][1,4]benzodiazocine CAS Name: 8-bromo-1-chloro-6-ethoxy-5-methyl-11-(methylthio)-10H-pyrimido[4,5-b][1,4]benzodiazocine IUPAC Name: 8-bromo-1-chloro-6-ethoxy-5-methyl-11-methylsulfanyl-10H-pyrimido[4,5-b][1,4]benzodiazocine Traditional Name: 8-bromo-1-chloro-6-ethoxy-5-methyl-11-(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=C2C(=CC(=C1)Br)CC(=NC3=C(N2C)N=CN=C3Cl)SC

Isomeric SMILES

CCOC1=C2C(=CC(=C1)Br)CC(=NC3=C(N2C)N=CN=C3Cl)SC

InChI

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