1-chloranyl-6,11-diethoxy-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocin-8-ol

Systemtic Name: 1-chloranyl-6,11-diethoxy-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocin-8-ol Openeye Name: 1-chloro-6,11-diethoxy-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocin-8-ol CAS Name: 1-chloro-6,11-diethoxy-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocin-8-ol IUPAC Name: 1-chloro-6,11-diethoxy-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocin-8-ol Traditional Name: 1-chloro-6,11-diethoxy-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocin-8-ol Formula: C17H19ClN4O3 MolecularWeight: 362.81076

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NC2=C(N=CN=C2Cl)N(C3=C(C=C(C=C3C1)O)OCC)C

Isomeric SMILES

CCOC1=NC2=C(N=CN=C2Cl)N(C3=C(C=C(C=C3C1)O)OCC)C

InChI

InChI=1S/C17H19ClN4O3/c1-4-24-12-8-11(23)6-10-7-13(25-5-2)21-14-16(18)19-9-20-17(14)22(3)15(10)12/h6,8-9,23H,4-5,7H2,1-3H3