3-(1,3-benzodioxol-5-ylmethyl)-8-bromanyl-5H-pyrimido[5,4-b]indol-4-one

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-8-bromanyl-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-8-bromo-5H-pyrimido[5,4-b]indol-4-one CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-8-bromo-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-8-bromo-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 8-bromo-3-piperonyl-5H-pyrimid[5,4-b]indol-4-one Formula: C18H12BrN3O3 MolecularWeight: 398.21018

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CN3C=NC4=C(C3=O)NC5=C4C=C(C=C5)Br

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CN3C=NC4=C(C3=O)NC5=C4C=C(C=C5)Br

InChI

InChI=1S/C18H12BrN3O3/c19-11-2-3-13-12(6-11)16-17(21-13)18(23)22(8-20-16)7-10-1-4-14-15(5-10)25-9-24-14/h1-6,8,21H,7,9H2