3-methyl-7-[3-[(1-methyl-2,3,4,5-tetrahydropyridin-1-ium-6-yl)amino]propyl]purine-2,6-dione

Systemtic Name: 3-methyl-7-[3-[(1-methyl-2,3,4,5-tetrahydropyridin-1-ium-6-yl)amino]propyl]purine-2,6-dione Openeye Name: 3-methyl-7-[3-[(1-methyl-2,3,4,5-tetrahydropyridin-1-ium-6-yl)amino]propyl]purine-2,6-dione CAS Name: 3-methyl-7-[3-[(1-methyl-2,3,4,5-tetrahydropyridin-1-ium-6-yl)amino]propyl]purine-2,6-dione IUPAC Name: 3-methyl-7-[3-[(1-methyl-2,3,4,5-tetrahydropyridin-1-ium-6-yl)amino]propyl]purine-2,6-dione Traditional Name: 3-methyl-7-[3-[(1-methyl-2,3,4,5-tetrahydropyridin-1-ium-6-yl)amino]propyl]xanthine Formula: C15H23N6O2+ MolecularWeight: 319.38212

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C=N2)CCCNC3=[N+](CCCC3)C

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C=N2)CCCNC3=[N+](CCCC3)C

InChI

InChI=1S/C15H22N6O2/c1-19-8-4-3-6-11(19)16-7-5-9-21-10-17-13-12(21)14(22)18-15(23)20(13)2/h10H,3-9H2,1-2H3,(H,18,22,23)/p+1