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

Systemtic Name: 1-chloranyl-8,11-diethoxy-6-iodanyl-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocine Openeye Name: 1-chloro-8,11-diethoxy-6-iodo-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocine CAS Name: 1-chloro-8,11-diethoxy-6-iodo-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocine IUPAC Name: 1-chloro-8,11-diethoxy-6-iodo-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocine Traditional Name: 1-chloro-8,11-diethoxy-6-iodo-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocine Formula: C17H18ClIN4O2 MolecularWeight: 472.70789

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NC2=C(N=CN=C2Cl)N(C3=C(C=C(C=C3C1)OCC)I)C

Isomeric SMILES

CCOC1=NC2=C(N=CN=C2Cl)N(C3=C(C=C(C=C3C1)OCC)I)C

InChI

InChI=1S/C17H18ClIN4O2/c1-4-24-11-6-10-7-13(25-5-2)22-14-16(18)20-9-21-17(14)23(3)15(10)12(19)8-11/h6,8-9H,4-5,7H2,1-3H3