3-methyl-7-(2-methylpropyl)-8-pyrrolidin-1-ium-1-ylidene-9H-purine-2,6-dione

Systemtic Name: 3-methyl-7-(2-methylpropyl)-8-pyrrolidin-1-ium-1-ylidene-9H-purine-2,6-dione Openeye Name: 7-isobutyl-3-methyl-8-pyrrolidin-1-ium-1-ylidene-9H-purine-2,6-dione CAS Name: 3-methyl-7-(2-methylpropyl)-8-(1-pyrrolidin-1-iumylidene)-9H-purine-2,6-dione IUPAC Name: 3-methyl-7-(2-methylpropyl)-8-pyrrolidin-1-ium-1-ylidene-9H-purine-2,6-dione Traditional Name: 7-isobutyl-3-methyl-8-pyrrolidin-1-ium-1-ylidene-9H-purine-2,6-quinone Formula: C14H22N5O2+ MolecularWeight: 292.35678

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(NC1=[N+]3CCCC3)N(C(=O)NC2=O)C

Isomeric SMILES

CC(C)CN1C2=C(NC1=[N+]3CCCC3)N(C(=O)NC2=O)C

InChI

InChI=1S/C14H21N5O2/c1-9(2)8-19-10-11(17(3)14(21)16-12(10)20)15-13(19)18-6-4-5-7-18/h9H,4-8H2,1-3H3,(H,16,20,21)/p+1