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

Systemtic Name: 1-chloranyl-6-ethoxy-11-iodanyl-5-methyl-8-(phenylmethyl)-10H-pyrimido[4,5-b][1,4]benzodiazocine Openeye Name: 8-benzyl-1-chloro-6-ethoxy-11-iodo-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocine CAS Name: 1-chloro-6-ethoxy-11-iodo-5-methyl-8-(phenylmethyl)-10H-pyrimido[4,5-b][1,4]benzodiazocine IUPAC Name: 8-benzyl-1-chloro-6-ethoxy-11-iodo-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocine Traditional Name: 8-benzyl-1-chloro-6-ethoxy-11-iodo-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocine Formula: C22H20ClIN4O MolecularWeight: 518.77787

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C2C(=CC(=C1)CC3=CC=CC=C3)CC(=NC4=C(N2C)N=CN=C4Cl)I

Isomeric SMILES

CCOC1=C2C(=CC(=C1)CC3=CC=CC=C3)CC(=NC4=C(N2C)N=CN=C4Cl)I

InChI

InChI=1S/C22H20ClIN4O/c1-3-29-17-11-15(9-14-7-5-4-6-8-14)10-16-12-18(24)27-19-21(23)25-13-26-22(19)28(2)20(16)17/h4-8,10-11,13H,3,9,12H2,1-2H3