2-(1-chloranyl-11-ethoxy-6-iodanyl-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocin-8-yl)phenol

Systemtic Name: 2-(1-chloranyl-11-ethoxy-6-iodanyl-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocin-8-yl)phenol Openeye Name: 2-(1-chloro-11-ethoxy-6-iodo-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocin-8-yl)phenol CAS Name: 2-(1-chloro-11-ethoxy-6-iodo-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocin-8-yl)phenol IUPAC Name: 2-(1-chloro-11-ethoxy-6-iodo-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocin-8-yl)phenol Traditional Name: 2-(1-chloro-11-ethoxy-6-iodo-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocin-8-yl)phenol Formula: C21H18ClIN4O2 MolecularWeight: 520.75069

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NC2=C(N=CN=C2Cl)N(C3=C(C1)C=C(C=C3I)C4=CC=CC=C4O)C

Isomeric SMILES

CCOC1=NC2=C(N=CN=C2Cl)N(C3=C(C1)C=C(C=C3I)C4=CC=CC=C4O)C

InChI

InChI=1S/C21H18ClIN4O2/c1-3-29-17-10-13-8-12(14-6-4-5-7-16(14)28)9-15(23)19(13)27(2)21-18(26-17)20(22)24-11-25-21/h4-9,11,28H,3,10H2,1-2H3