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

Systemtic Name: 1,3-dimethyl-7-[2-[(1-methyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)amino]ethyl]purine-2,6-dione Openeye Name: 1,3-dimethyl-7-[2-[(1-methyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)amino]ethyl]purine-2,6-dione CAS Name: 1,3-dimethyl-7-[2-[(1-methyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)amino]ethyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[2-[(1-methyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)amino]ethyl]purine-2,6-dione Traditional Name: 1,3-dimethyl-7-[2-[(1-methyl-1-pyrrolin-1-ium-2-yl)amino]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=[N+](CCC3)C

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCNC3=[N+](CCC3)C

InChI

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