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

Systemtic Name: 2-(8-bromanyl-1-chloranyl-11-ethoxy-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocin-6-yl)phenol Openeye Name: 2-(8-bromo-1-chloro-11-ethoxy-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocin-6-yl)phenol CAS Name: 2-(8-bromo-1-chloro-11-ethoxy-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocin-6-yl)phenol IUPAC Name: 2-(8-bromo-1-chloro-11-ethoxy-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocin-6-yl)phenol Traditional Name: 2-(8-bromo-1-chloro-11-ethoxy-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocin-6-yl)phenol Formula: C21H18BrClN4O2 MolecularWeight: 473.75022

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NC2=C(N=CN=C2Cl)N(C3=C(C1)C=C(C=C3C4=CC=CC=C4O)Br)C

Isomeric SMILES

CCOC1=NC2=C(N=CN=C2Cl)N(C3=C(C1)C=C(C=C3C4=CC=CC=C4O)Br)C

InChI

InChI=1S/C21H18BrClN4O2/c1-3-29-17-9-12-8-13(22)10-15(14-6-4-5-7-16(14)28)19(12)27(2)21-18(26-17)20(23)24-11-25-21/h4-8,10-11,28H,3,9H2,1-2H3