1,3,7-trimethyl-8-pyrrolidin-1-ium-1-ylidene-9H-purine-2,6-dione

Systemtic Name: 1,3,7-trimethyl-8-pyrrolidin-1-ium-1-ylidene-9H-purine-2,6-dione Openeye Name: 1,3,7-trimethyl-8-pyrrolidin-1-ium-1-ylidene-9H-purine-2,6-dione CAS Name: 1,3,7-trimethyl-8-(1-pyrrolidin-1-iumylidene)-9H-purine-2,6-dione IUPAC Name: 1,3,7-trimethyl-8-pyrrolidin-1-ium-1-ylidene-9H-purine-2,6-dione Traditional Name: 1,3,7-trimethyl-8-pyrrolidin-1-ium-1-ylidene-9H-purine-2,6-quinone Formula: C12H18N5O2+ MolecularWeight: 264.30362

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(NC1=[N+]3CCCC3)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CN1C2=C(NC1=[N+]3CCCC3)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C12H17N5O2/c1-14-8-9(13-11(14)17-6-4-5-7-17)15(2)12(19)16(3)10(8)18/h4-7H2,1-3H3/p+1