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

Systemtic Name: 1-chloranyl-8-iodanyl-6-methoxy-5-methyl-11-(phenylmethyl)-10H-pyrimido[4,5-b][1,4]benzodiazocine Openeye Name: 11-benzyl-1-chloro-8-iodo-6-methoxy-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocine CAS Name: 1-chloro-8-iodo-6-methoxy-5-methyl-11-(phenylmethyl)-10H-pyrimido[4,5-b][1,4]benzodiazocine IUPAC Name: 11-benzyl-1-chloro-8-iodo-6-methoxy-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocine Traditional Name: 11-benzyl-1-chloro-8-iodo-6-methoxy-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocine Formula: C21H18ClIN4O MolecularWeight: 504.75129

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2CC(=NC3=C1N=CN=C3Cl)CC4=CC=CC=C4)I)OC

Isomeric SMILES

CN1C2=C(C=C(C=C2CC(=NC3=C1N=CN=C3Cl)CC4=CC=CC=C4)I)OC

InChI

InChI=1S/C21H18ClIN4O/c1-27-19-14(9-15(23)11-17(19)28-2)10-16(8-13-6-4-3-5-7-13)26-18-20(22)24-12-25-21(18)27/h3-7,9,11-12H,8,10H2,1-2H3