7-(2-azanyl-2-piperidin-1-ium-1-ylidene-ethyl)-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-(2-azanyl-2-piperidin-1-ium-1-ylidene-ethyl)-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-(2-amino-2-piperidin-1-ium-1-ylidene-ethyl)-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[2-amino-2-(1-piperidin-1-iumylidene)ethyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-(2-amino-2-piperidin-1-ium-1-ylideneethyl)-1,3-dimethylpurine-2,6-dione Traditional Name: 7-(2-amino-2-piperidin-1-ium-1-ylidene-ethyl)-1,3-dimethyl-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)CC(=[N+]3CCCCC3)N

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=[N+]3CCCCC3)N

InChI

InChI=1S/C14H20N6O2/c1-17-12-11(13(21)18(2)14(17)22)20(9-16-12)8-10(15)19-6-4-3-5-7-19/h9,15H,3-8H2,1-2H3/p+1