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

Systemtic Name: 1-chloranyl-8-ethoxy-6-methoxy-5-methyl-11-methylsulfanyl-10H-pyrimido[4,5-b][1,4]benzodiazocine Openeye Name: 1-chloro-8-ethoxy-6-methoxy-5-methyl-11-methylsulfanyl-10H-pyrimido[4,5-b][1,4]benzodiazocine CAS Name: 1-chloro-8-ethoxy-6-methoxy-5-methyl-11-(methylthio)-10H-pyrimido[4,5-b][1,4]benzodiazocine IUPAC Name: 1-chloro-8-ethoxy-6-methoxy-5-methyl-11-methylsulfanyl-10H-pyrimido[4,5-b][1,4]benzodiazocine Traditional Name: 1-chloro-8-ethoxy-6-methoxy-5-methyl-11-(methylthio)-10H-pyrimido[4,5-b][1,4]benzodiazocine Formula: C17H19ClN4O2S MolecularWeight: 378.87636

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19ClN4O2S/c1-5-24-11-6-10-7-13(25-4)21-14-16(18)19-9-20-17(14)22(2)15(10)12(8-11)23-3/h6,8-9H,5,7H2,1-4H3