8-(butan-2-ylamino)-1,3-dimethyl-7-propyl-9H-purin-7-ium-2,6-dione

Systemtic Name: 8-(butan-2-ylamino)-1,3-dimethyl-7-propyl-9H-purin-7-ium-2,6-dione Openeye Name: 1,3-dimethyl-7-propyl-8-(sec-butylamino)-9H-purin-7-ium-2,6-dione CAS Name: 8-(butan-2-ylamino)-1,3-dimethyl-7-propyl-9H-purin-7-ium-2,6-dione IUPAC Name: 8-(butan-2-ylamino)-1,3-dimethyl-7-propyl-9H-purin-7-ium-2,6-dione Traditional Name: 1,3-dimethyl-7-propyl-8-(sec-butylamino)-9H-purin-7-ium-2,6-quinone Formula: C14H24N5O2+ MolecularWeight: 294.37266

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1=C(NC2=C1C(=O)N(C(=O)N2C)C)NC(C)CC

Isomeric SMILES

CCC[N+]1=C(NC2=C1C(=O)N(C(=O)N2C)C)NC(C)CC

InChI

InChI=1S/C14H23N5O2/c1-6-8-19-10-11(16-13(19)15-9(3)7-2)17(4)14(21)18(5)12(10)20/h9H,6-8H2,1-5H3,(H,15,16,20)/p+1