8-(2-methoxyethylamino)-3-methyl-7-(3-methylbutyl)-5H-purin-7-ium-2,6-dione

Systemtic Name: 8-(2-methoxyethylamino)-3-methyl-7-(3-methylbutyl)-5H-purin-7-ium-2,6-dione Openeye Name: 7-isopentyl-8-(2-methoxyethylamino)-3-methyl-5H-purin-7-ium-2,6-dione CAS Name: 8-(2-methoxyethylamino)-3-methyl-7-(3-methylbutyl)-5H-purin-7-ium-2,6-dione IUPAC Name: 8-(2-methoxyethylamino)-3-methyl-7-(3-methylbutyl)-5H-purin-7-ium-2,6-dione Traditional Name: 7-isoamyl-8-(2-methoxyethylamino)-3-methyl-5H-purin-7-ium-2,6-quinone Formula: C14H24N5O3+ MolecularWeight: 310.37206

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC[N+]1=C(N=C2C1C(=O)NC(=O)N2C)NCCOC

Isomeric SMILES

CC(C)CC[N+]1=C(N=C2C1C(=O)NC(=O)N2C)NCCOC

InChI

InChI=1S/C14H23N5O3/c1-9(2)5-7-19-10-11(16-13(19)15-6-8-22-4)18(3)14(21)17-12(10)20/h9-10H,5-8H2,1-4H3,(H,17,20,21)/p+1