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

Systemtic Name: 1-chloranyl-11-ethoxy-6-(2-hydroxyphenyl)-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocin-8-ol Openeye Name: 1-chloro-11-ethoxy-6-(2-hydroxyphenyl)-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocin-8-ol CAS Name: 1-chloro-11-ethoxy-6-(2-hydroxyphenyl)-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocin-8-ol IUPAC Name: 1-chloro-11-ethoxy-6-(2-hydroxyphenyl)-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocin-8-ol Traditional Name: 1-chloro-11-ethoxy-6-(2-hydroxyphenyl)-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocin-8-ol Formula: C21H19ClN4O3 MolecularWeight: 410.85356

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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)O)C

Isomeric SMILES

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

InChI

InChI=1S/C21H19ClN4O3/c1-3-29-17-9-12-8-13(27)10-15(14-6-4-5-7-16(14)28)19(12)26(2)21-18(25-17)20(22)23-11-24-21/h4-8,10-11,27-28H,3,9H2,1-2H3