8-oxidanylidene-6-phenyl-2-[(3,4,5-trimethoxyphenyl)methyl]-2H-pteridin-8-ium-4-amine

Systemtic Name: 8-oxidanylidene-6-phenyl-2-[(3,4,5-trimethoxyphenyl)methyl]-2H-pteridin-8-ium-4-amine Openeye Name: 8-oxo-6-phenyl-2-[(3,4,5-trimethoxyphenyl)methyl]-2H-pteridin-8-ium-4-amine CAS Name: 8-oxo-6-phenyl-2-[(3,4,5-trimethoxyphenyl)methyl]-2H-pteridin-8-ium-4-amine IUPAC Name: 8-oxo-6-phenyl-2-[(3,4,5-trimethoxyphenyl)methyl]-2H-pteridin-8-ium-4-amine Traditional Name: [8-keto-6-phenyl-2-(3,4,5-trimethoxybenzyl)-2H-pteridin-8-ium-4-yl]amine Formula: C22H22N5O4+ MolecularWeight: 420.44118

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CC2N=C(C3=NC(=C[N+](=O)C3=N2)C4=CC=CC=C4)N

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CC2N=C(C3=NC(=C[N+](=O)C3=N2)C4=CC=CC=C4)N

InChI

InChI=1S/C22H22N5O4/c1-29-16-9-13(10-17(30-2)20(16)31-3)11-18-25-21(23)19-22(26-18)27(28)12-15(24-19)14-7-5-4-6-8-14/h4-10,12,18H,11H2,1-3H3,(H2,23,25)/q+1