1,3-dimethyl-8-piperidin-1-yl-7-[3-(2,3,4,5-tetrahydropyridin-1-ium-6-ylamino)propyl]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-8-piperidin-1-yl-7-[3-(2,3,4,5-tetrahydropyridin-1-ium-6-ylamino)propyl]purine-2,6-dione Openeye Name: 1,3-dimethyl-8-(1-piperidyl)-7-[3-(2,3,4,5-tetrahydropyridin-1-ium-6-ylamino)propyl]purine-2,6-dione CAS Name: 1,3-dimethyl-8-(1-piperidinyl)-7-[3-(2,3,4,5-tetrahydropyridin-1-ium-6-ylamino)propyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-8-piperidin-1-yl-7-[3-(2,3,4,5-tetrahydropyridin-1-ium-6-ylamino)propyl]purine-2,6-dione Traditional Name: 1,3-dimethyl-8-piperidino-7-[3-(2,3,4,5-tetrahydropyridin-1-ium-6-ylamino)propyl]xanthine Formula: C20H32N7O2+ MolecularWeight: 402.51378

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCCCC3)CCCNC4=[NH+]CCCC4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCCCC3)CCCNC4=[NH+]CCCC4

InChI

InChI=1S/C20H31N7O2/c1-24-17-16(18(28)25(2)20(24)29)27(19(23-17)26-12-6-3-7-13-26)14-8-11-22-15-9-4-5-10-21-15/h3-14H2,1-2H3,(H,21,22)/p+1