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

Systemtic Name: 2-(1-chloranyl-8-fluoranyl-11-methoxy-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocin-6-yl)phenol Openeye Name: 2-(1-chloro-8-fluoro-11-methoxy-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocin-6-yl)phenol CAS Name: 2-(1-chloro-8-fluoro-11-methoxy-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocin-6-yl)phenol IUPAC Name: 2-(1-chloro-8-fluoro-11-methoxy-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocin-6-yl)phenol Traditional Name: 2-(1-chloro-8-fluoro-11-methoxy-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocin-6-yl)phenol Formula: C20H16ClFN4O2 MolecularWeight: 398.818043

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(CC(=NC3=C1N=CN=C3Cl)OC)C=C(C=C2C4=CC=CC=C4O)F

Isomeric SMILES

CN1C2=C(CC(=NC3=C1N=CN=C3Cl)OC)C=C(C=C2C4=CC=CC=C4O)F

InChI

InChI=1S/C20H16ClFN4O2/c1-26-18-11(7-12(22)9-14(18)13-5-3-4-6-15(13)27)8-16(28-2)25-17-19(21)23-10-24-20(17)26/h3-7,9-10,27H,8H2,1-2H3