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

Systemtic Name: 1,11-bis(chloranyl)-6-ethoxy-8-iodanyl-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocine Openeye Name: 1,11-dichloro-6-ethoxy-8-iodo-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocine CAS Name: 1,11-dichloro-6-ethoxy-8-iodo-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocine IUPAC Name: 1,11-dichloro-6-ethoxy-8-iodo-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocine Traditional Name: 1,11-dichloro-6-ethoxy-8-iodo-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocine Formula: C15H13Cl2IN4O MolecularWeight: 463.10039

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13Cl2IN4O/c1-3-23-10-6-9(18)4-8-5-11(16)21-12-14(17)19-7-20-15(12)22(2)13(8)10/h4,6-7H,3,5H2,1-2H3