2-azanyl-6,7-dimethyl-5-(1-octylpyridin-1-ium-3-yl)carbonyl-1,6,7,8-tetrahydropteridin-4-one iodide

Systemtic Name: 2-azanyl-6,7-dimethyl-5-(1-octylpyridin-1-ium-3-yl)carbonyl-1,6,7,8-tetrahydropteridin-4-one iodide Openeye Name: 2-amino-6,7-dimethyl-5-(1-octylpyridin-1-ium-3-carbonyl)-1,6,7,8-tetrahydropteridin-4-one iodide CAS Name: 2-amino-6,7-dimethyl-5-[(1-octyl-3-pyridin-1-iumyl)-oxomethyl]-1,6,7,8-tetrahydropteridin-4-one iodide IUPAC Name: 2-amino-6,7-dimethyl-5-(1-octylpyridin-1-ium-3-carbonyl)-1,6,7,8-tetrahydropteridin-4-one iodide Traditional Name: 2-amino-6,7-dimethyl-5-(1-octylpyridin-1-ium-3-carbonyl)-1,6,7,8-tetrahydropteridin-4-one iodide Formula: C22H33IN6O2 MolecularWeight: 540.44089

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC[N+]1=CC=CC(=C1)C(=O)N2C(C(NC3=C2C(=O)N=C(N3)N)C)C.[I-]

Isomeric SMILES

CCCCCCCC[N+]1=CC=CC(=C1)C(=O)N2C(C(NC3=C2C(=O)N=C(N3)N)C)C.[I-]

InChI

InChI=1S/C22H32N6O2.HI/c1-4-5-6-7-8-9-12-27-13-10-11-17(14-27)21(30)28-16(3)15(2)24-19-18(28)20(29)26-22(23)25-19;/h10-11,13-16H,4-9,12H2,1-3H3,(H3-,23,24,25,26,29);1H