1-chloranyl-8-iodanyl-6-methoxy-5-methyl-10,12-dihydropyrimido[4,5-b][1,4]benzodiazocin-11-one

Systemtic Name: 1-chloranyl-8-iodanyl-6-methoxy-5-methyl-10,12-dihydropyrimido[4,5-b][1,4]benzodiazocin-11-one Openeye Name: 1-chloro-8-iodo-6-methoxy-5-methyl-10,12-dihydropyrimido[4,5-b][1,4]benzodiazocin-11-one CAS Name: 1-chloro-8-iodo-6-methoxy-5-methyl-10,12-dihydropyrimido[4,5-b][1,4]benzodiazocin-11-one IUPAC Name: 1-chloro-8-iodo-6-methoxy-5-methyl-10,12-dihydropyrimido[4,5-b][1,4]benzodiazocin-11-one Traditional Name: 1-chloro-8-iodo-6-methoxy-5-methyl-10,12-dihydropyrimido[4,5-b][1,4]benzodiazocin-11-one Formula: C14H12ClIN4O2 MolecularWeight: 430.62815

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2CC(=O)NC3=C1N=CN=C3Cl)I)OC

Isomeric SMILES

CN1C2=C(C=C(C=C2CC(=O)NC3=C1N=CN=C3Cl)I)OC

InChI

InChI=1S/C14H12ClIN4O2/c1-20-12-7(3-8(16)5-9(12)22-2)4-10(21)19-11-13(15)17-6-18-14(11)20/h3,5-6H,4H2,1-2H3,(H,19,21)