2-(1-chloranyl-8-ethoxy-11-fluoranyl-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocin-6-yl)phenol

Systemtic Name: 2-(1-chloranyl-8-ethoxy-11-fluoranyl-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocin-6-yl)phenol Openeye Name: 2-(1-chloro-8-ethoxy-11-fluoro-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocin-6-yl)phenol CAS Name: 2-(1-chloro-8-ethoxy-11-fluoro-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocin-6-yl)phenol IUPAC Name: 2-(1-chloro-8-ethoxy-11-fluoro-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocin-6-yl)phenol Traditional Name: 2-(1-chloro-8-ethoxy-11-fluoro-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocin-6-yl)phenol Formula: C21H18ClFN4O2 MolecularWeight: 412.844623

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C(=C1)C3=CC=CC=C3O)N(C4=C(C(=NC=N4)Cl)N=C(C2)F)C

Isomeric SMILES

CCOC1=CC2=C(C(=C1)C3=CC=CC=C3O)N(C4=C(C(=NC=N4)Cl)N=C(C2)F)C

InChI

InChI=1S/C21H18ClFN4O2/c1-3-29-13-8-12-9-17(23)26-18-20(22)24-11-25-21(18)27(2)19(12)15(10-13)14-6-4-5-7-16(14)28/h4-8,10-11,28H,3,9H2,1-2H3