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

Systemtic Name: 1-chloranyl-6-ethoxy-8-iodanyl-5-methyl-11-methylsulfanyl-10H-pyrimido[4,5-b][1,4]benzodiazocine Openeye Name: 1-chloro-6-ethoxy-8-iodo-5-methyl-11-methylsulfanyl-10H-pyrimido[4,5-b][1,4]benzodiazocine CAS Name: 1-chloro-6-ethoxy-8-iodo-5-methyl-11-(methylthio)-10H-pyrimido[4,5-b][1,4]benzodiazocine IUPAC Name: 1-chloro-6-ethoxy-8-iodo-5-methyl-11-methylsulfanyl-10H-pyrimido[4,5-b][1,4]benzodiazocine Traditional Name: 1-chloro-6-ethoxy-8-iodo-5-methyl-11-(methylthio)-10H-pyrimido[4,5-b][1,4]benzodiazocine Formula: C16H16ClIN4OS MolecularWeight: 474.74691

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16ClIN4OS/c1-4-23-11-7-10(18)5-9-6-12(24-3)21-13-15(17)19-8-20-16(13)22(2)14(9)11/h5,7-8H,4,6H2,1-3H3