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

Systemtic Name: 1-chloranyl-6-methoxy-5-methyl-8,11-bis(methylsulfanyl)-10H-pyrimido[4,5-b][1,4]benzodiazocine Openeye Name: 1-chloro-6-methoxy-5-methyl-8,11-bis(methylsulfanyl)-10H-pyrimido[4,5-b][1,4]benzodiazocine CAS Name: 1-chloro-6-methoxy-5-methyl-8,11-bis(methylthio)-10H-pyrimido[4,5-b][1,4]benzodiazocine IUPAC Name: 1-chloro-6-methoxy-5-methyl-8,11-bis(methylsulfanyl)-10H-pyrimido[4,5-b][1,4]benzodiazocine Traditional Name: 1-chloro-6-methoxy-5-methyl-8,11-bis(methylthio)-10H-pyrimido[4,5-b][1,4]benzodiazocine Formula: C16H17ClN4OS2 MolecularWeight: 380.91538

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17ClN4OS2/c1-21-14-9(5-10(23-3)7-11(14)22-2)6-12(24-4)20-13-15(17)18-8-19-16(13)21/h5,7-8H,6H2,1-4H3