1-(methylamino)-3-(prop-2-enylamino)-6H-pyrimido[1,6-a][3,1]benzoxazin-11-ium-4-carbaldehyde

Systemtic Name: 1-(methylamino)-3-(prop-2-enylamino)-6H-pyrimido[1,6-a][3,1]benzoxazin-11-ium-4-carbaldehyde Openeye Name: 3-(allylamino)-1-(methylamino)-6H-pyrimido[1,6-a][3,1]benzoxazin-11-ium-4-carbaldehyde CAS Name: 1-(methylamino)-3-(prop-2-enylamino)-6H-pyrimido[1,6-a][3,1]benzoxazin-11-ium-4-carboxaldehyde IUPAC Name: 1-(methylamino)-3-(prop-2-enylamino)-6H-pyrimido[1,6-a][3,1]benzoxazin-11-ium-4-carbaldehyde Traditional Name: 3-(allylamino)-1-(methylamino)-6H-pyrimido[1,6-a][3,1]benzoxazin-11-ium-4-carbaldehyde Formula: C16H17N4O2+ MolecularWeight: 297.33178

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC(=C(C2=[N+]1C3=CC=CC=C3CO2)C=O)NCC=C

Isomeric SMILES

CNC1=NC(=C(C2=[N+]1C3=CC=CC=C3CO2)C=O)NCC=C

InChI

InChI=1S/C16H16N4O2/c1-3-8-18-14-12(9-21)15-20(16(17-2)19-14)13-7-5-4-6-11(13)10-22-15/h3-7,9H,1,8,10H2,2H3,(H,17,18,19)/p+1