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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCNC3=[N+](CCC3)C

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCNC3=[N+](CCC3)C

InChI

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