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

Systemtic Name: 1-chloranyl-8-iodanyl-5-methyl-6-(phenylmethyl)-10,12-dihydropyrimido[4,5-b][1,4]benzodiazocin-11-one Openeye Name: 6-benzyl-1-chloro-8-iodo-5-methyl-10,12-dihydropyrimido[4,5-b][1,4]benzodiazocin-11-one CAS Name: 1-chloro-8-iodo-5-methyl-6-(phenylmethyl)-10,12-dihydropyrimido[4,5-b][1,4]benzodiazocin-11-one IUPAC Name: 6-benzyl-1-chloro-8-iodo-5-methyl-10,12-dihydropyrimido[4,5-b][1,4]benzodiazocin-11-one Traditional Name: 6-benzyl-1-chloro-8-iodo-5-methyl-10,12-dihydropyrimido[4,5-b][1,4]benzodiazocin-11-one Formula: C20H16ClIN4O MolecularWeight: 490.72471

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16ClIN4O/c1-26-18-13(7-12-5-3-2-4-6-12)8-15(22)9-14(18)10-16(27)25-17-19(21)23-11-24-20(17)26/h2-6,8-9,11H,7,10H2,1H3,(H,25,27)