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

Systemtic Name: 1-chloranyl-8-iodanyl-5-methyl-6,11-bis(phenylmethyl)-10H-pyrimido[4,5-b][1,4]benzodiazocine Openeye Name: 6,11-dibenzyl-1-chloro-8-iodo-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocine CAS Name: 1-chloro-8-iodo-5-methyl-6,11-bis(phenylmethyl)-10H-pyrimido[4,5-b][1,4]benzodiazocine IUPAC Name: 6,11-dibenzyl-1-chloro-8-iodo-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocine Traditional Name: 6,11-dibenzyl-1-chloro-8-iodo-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocine Formula: C27H22ClIN4 MolecularWeight: 564.84785

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2CC(=NC3=C1N=CN=C3Cl)CC4=CC=CC=C4)I)CC5=CC=CC=C5

Isomeric SMILES

CN1C2=C(C=C(C=C2CC(=NC3=C1N=CN=C3Cl)CC4=CC=CC=C4)I)CC5=CC=CC=C5

InChI

InChI=1S/C27H22ClIN4/c1-33-25-20(12-18-8-4-2-5-9-18)14-22(29)15-21(25)16-23(13-19-10-6-3-7-11-19)32-24-26(28)30-17-31-27(24)33/h2-11,14-15,17H,12-13,16H2,1H3