3-(6-azanyl-2-azanylidene-1,3,7-trimethyl-purin-3-ium-8-yl)oxybenzaldehyde

Systemtic Name: 3-(6-azanyl-2-azanylidene-1,3,7-trimethyl-purin-3-ium-8-yl)oxybenzaldehyde Openeye Name: 3-(6-amino-2-imino-1,3,7-trimethyl-purin-3-ium-8-yl)oxybenzaldehyde CAS Name: 3-[(6-amino-2-imino-1,3,7-trimethyl-8-purin-3-iumyl)oxy]benzaldehyde IUPAC Name: 3-(6-amino-2-imino-1,3,7-trimethylpurin-3-ium-8-yl)oxybenzaldehyde Traditional Name: 3-(6-amino-2-imino-1,3,7-trimethyl-purin-3-ium-8-yl)oxybenzaldehyde Formula: C15H17N6O2+ MolecularWeight: 313.33448

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N(C(=N)[N+](=C2N=C1OC3=CC=CC(=C3)C=O)C)C)N

Isomeric SMILES

CN1C2=C(N(C(=N)[N+](=C2N=C1OC3=CC=CC(=C3)C=O)C)C)N

InChI

InChI=1S/C15H16N6O2/c1-19-11-12(16)20(2)14(17)21(3)13(11)18-15(19)23-10-6-4-5-9(7-10)8-22/h4-8,16-17H,1-3H3/p+1