4-chloranyl-8,9-dimethoxy-5,6-dihydropyrimido[4,5-b][1,4]benzoxazepine

Systemtic Name: 4-chloranyl-8,9-dimethoxy-5,6-dihydropyrimido[4,5-b][1,4]benzoxazepine Openeye Name: 4-chloro-8,9-dimethoxy-5,6-dihydropyrimido[4,5-b][1,4]benzoxazepine CAS Name: 4-chloro-8,9-dimethoxy-5,6-dihydropyrimido[4,5-b][1,4]benzoxazepine IUPAC Name: 4-chloro-8,9-dimethoxy-5,6-dihydropyrimido[4,5-b][1,4]benzoxazepine Traditional Name: 4-chloro-8,9-dimethoxy-5,6-dihydropyrimido[4,5-b][1,4]benzoxazepine Formula: C13H12ClN3O3 MolecularWeight: 293.70568

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)CNC3=C(O2)N=CN=C3Cl)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)CNC3=C(O2)N=CN=C3Cl)OC

InChI

InChI=1S/C13H12ClN3O3/c1-18-9-3-7-5-15-11-12(14)16-6-17-13(11)20-8(7)4-10(9)19-2/h3-4,6,15H,5H2,1-2H3