3-[2,6-bis(azanyl)-1,3,7-trimethyl-purine-1,3-diium-8-yl]oxybenzaldehyde

Systemtic Name: 3-[2,6-bis(azanyl)-1,3,7-trimethyl-purine-1,3-diium-8-yl]oxybenzaldehyde Openeye Name: 3-(2,6-diamino-1,3,7-trimethyl-purine-1,3-diium-8-yl)oxybenzaldehyde CAS Name: 3-[(2,6-diamino-1,3,7-trimethyl-8-purine-1,3-diiumyl)oxy]benzaldehyde IUPAC Name: 3-(2,6-diamino-1,3,7-trimethylpurine-1,3-diium-8-yl)oxybenzaldehyde Traditional Name: 3-(2,6-diamino-1,3,7-trimethyl-purine-1,3-diium-8-yl)oxybenzaldehyde Formula: C15H18N6O2+2 MolecularWeight: 314.34242

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

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+2