1,3-dimethyl-7-[2-(2,3,4,5-tetrahydropyridin-1-ium-6-ylamino)ethyl]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-[2-(2,3,4,5-tetrahydropyridin-1-ium-6-ylamino)ethyl]purine-2,6-dione Openeye Name: 1,3-dimethyl-7-[2-(2,3,4,5-tetrahydropyridin-1-ium-6-ylamino)ethyl]purine-2,6-dione CAS Name: 1,3-dimethyl-7-[2-(2,3,4,5-tetrahydropyridin-1-ium-6-ylamino)ethyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[2-(2,3,4,5-tetrahydropyridin-1-ium-6-ylamino)ethyl]purine-2,6-dione Traditional Name: 1,3-dimethyl-7-[2-(2,3,4,5-tetrahydropyridin-1-ium-6-ylamino)ethyl]xanthine Formula: C14H21N6O2+ MolecularWeight: 305.35554

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCNC3=[NH+]CCCC3

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCNC3=[NH+]CCCC3

InChI

InChI=1S/C14H20N6O2/c1-18-12-11(13(21)19(2)14(18)22)20(9-17-12)8-7-16-10-5-3-4-6-15-10/h9H,3-8H2,1-2H3,(H,15,16)/p+1