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

Systemtic Name: 1-chloranyl-8-ethoxy-6-iodanyl-11-methoxy-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocine Openeye Name: 1-chloro-8-ethoxy-6-iodo-11-methoxy-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocine CAS Name: 1-chloro-8-ethoxy-6-iodo-11-methoxy-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocine IUPAC Name: 1-chloro-8-ethoxy-6-iodo-11-methoxy-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocine Traditional Name: 1-chloro-8-ethoxy-6-iodo-11-methoxy-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocine Formula: C16H16ClIN4O2 MolecularWeight: 458.68131

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16ClIN4O2/c1-4-24-10-5-9-6-12(23-3)21-13-15(17)19-8-20-16(13)22(2)14(9)11(18)7-10/h5,7-8H,4,6H2,1-3H3