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

Systemtic Name: 11-bromanyl-1-chloranyl-5-methyl-6,8-bis(methylsulfanyl)-10H-pyrimido[4,5-b][1,4]benzodiazocine Openeye Name: 11-bromo-1-chloro-5-methyl-6,8-bis(methylsulfanyl)-10H-pyrimido[4,5-b][1,4]benzodiazocine CAS Name: 11-bromo-1-chloro-5-methyl-6,8-bis(methylthio)-10H-pyrimido[4,5-b][1,4]benzodiazocine IUPAC Name: 11-bromo-1-chloro-5-methyl-6,8-bis(methylsulfanyl)-10H-pyrimido[4,5-b][1,4]benzodiazocine Traditional Name: 11-bromo-1-chloro-5-methyl-6,8-bis(methylthio)-10H-pyrimido[4,5-b][1,4]benzodiazocine Formula: C15H14BrClN4S2 MolecularWeight: 429.78546

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2CC(=NC3=C1N=CN=C3Cl)Br)SC)SC

Isomeric SMILES

CN1C2=C(C=C(C=C2CC(=NC3=C1N=CN=C3Cl)Br)SC)SC

InChI

InChI=1S/C15H14BrClN4S2/c1-21-13-8(4-9(22-2)6-10(13)23-3)5-11(16)20-12-14(17)18-7-19-15(12)21/h4,6-7H,5H2,1-3H3