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

Systemtic Name: 1-chloranyl-8-ethoxy-5-methyl-6,11-bis(methylsulfanyl)-10H-pyrimido[4,5-b][1,4]benzodiazocine Openeye Name: 1-chloro-8-ethoxy-5-methyl-6,11-bis(methylsulfanyl)-10H-pyrimido[4,5-b][1,4]benzodiazocine CAS Name: 1-chloro-8-ethoxy-5-methyl-6,11-bis(methylthio)-10H-pyrimido[4,5-b][1,4]benzodiazocine IUPAC Name: 1-chloro-8-ethoxy-5-methyl-6,11-bis(methylsulfanyl)-10H-pyrimido[4,5-b][1,4]benzodiazocine Traditional Name: 1-chloro-8-ethoxy-5-methyl-6,11-bis(methylthio)-10H-pyrimido[4,5-b][1,4]benzodiazocine Formula: C17H19ClN4OS2 MolecularWeight: 394.94196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19ClN4OS2/c1-5-23-11-6-10-7-13(25-4)21-14-16(18)19-9-20-17(14)22(2)15(10)12(8-11)24-3/h6,8-9H,5,7H2,1-4H3