8-bromanyl-1-chloranyl-5-methyl-11-(phenylmethyl)-10H-pyrimido[4,5-b][1,4]benzodiazocin-6-ol

Systemtic Name: 8-bromanyl-1-chloranyl-5-methyl-11-(phenylmethyl)-10H-pyrimido[4,5-b][1,4]benzodiazocin-6-ol Openeye Name: 11-benzyl-8-bromo-1-chloro-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocin-6-ol CAS Name: 8-bromo-1-chloro-5-methyl-11-(phenylmethyl)-10H-pyrimido[4,5-b][1,4]benzodiazocin-6-ol IUPAC Name: 11-benzyl-8-bromo-1-chloro-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocin-6-ol Traditional Name: 11-benzyl-8-bromo-1-chloro-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocin-6-ol Formula: C20H16BrClN4O MolecularWeight: 443.72424

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16BrClN4O/c1-26-18-13(8-14(21)10-16(18)27)9-15(7-12-5-3-2-4-6-12)25-17-19(22)23-11-24-20(17)26/h2-6,8,10-11,27H,7,9H2,1H3