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

Systemtic Name: 6-methyl-8-oxidanylidene-2-[(3,4,5-trimethoxyphenyl)methyl]-2H-pteridin-8-ium-4-amine Openeye Name: 6-methyl-8-oxo-2-[(3,4,5-trimethoxyphenyl)methyl]-2H-pteridin-8-ium-4-amine CAS Name: 6-methyl-8-oxo-2-[(3,4,5-trimethoxyphenyl)methyl]-2H-pteridin-8-ium-4-amine IUPAC Name: 6-methyl-8-oxo-2-[(3,4,5-trimethoxyphenyl)methyl]-2H-pteridin-8-ium-4-amine Traditional Name: [8-keto-6-methyl-2-(3,4,5-trimethoxybenzyl)-2H-pteridin-8-ium-4-yl]amine Formula: C17H20N5O4+ MolecularWeight: 358.3718

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+](=O)C2=NC(N=C(C2=N1)N)CC3=CC(=C(C(=C3)OC)OC)OC

Isomeric SMILES

CC1=C[N+](=O)C2=NC(N=C(C2=N1)N)CC3=CC(=C(C(=C3)OC)OC)OC

InChI

InChI=1S/C17H20N5O4/c1-9-8-22(23)17-14(19-9)16(18)20-13(21-17)7-10-5-11(24-2)15(26-4)12(6-10)25-3/h5-6,8,13H,7H2,1-4H3,(H2,18,20)/q+1