8-azanyl-1,3-dimethyl-7-(2-piperidin-1-ium-1-ylethyl)purine-2,6-dione

Systemtic Name: 8-azanyl-1,3-dimethyl-7-(2-piperidin-1-ium-1-ylethyl)purine-2,6-dione Openeye Name: 8-amino-1,3-dimethyl-7-(2-piperidin-1-ium-1-ylethyl)purine-2,6-dione CAS Name: 8-amino-1,3-dimethyl-7-[2-(1-piperidin-1-iumyl)ethyl]purine-2,6-dione IUPAC Name: 8-amino-1,3-dimethyl-7-(2-piperidin-1-ium-1-ylethyl)purine-2,6-dione Traditional Name: 8-amino-1,3-dimethyl-7-(2-piperidin-1-ium-1-ylethyl)xanthine Formula: C14H23N6O2+ MolecularWeight: 307.37142

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N)CC[NH+]3CCCCC3

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N)CC[NH+]3CCCCC3

InChI

InChI=1S/C14H22N6O2/c1-17-11-10(12(21)18(2)14(17)22)20(13(15)16-11)9-8-19-6-4-3-5-7-19/h3-9H2,1-2H3,(H2,15,16)/p+1