8-(2-diethylaminoethylamino)-1,3,7-trimethyl-9H-purin-7-ium-2,6-dione

Systemtic Name: 8-(2-diethylaminoethylamino)-1,3,7-trimethyl-9H-purin-7-ium-2,6-dione Openeye Name: 8-(2-diethylaminoethylamino)-1,3,7-trimethyl-9H-purin-7-ium-2,6-dione CAS Name: 8-(2-diethylaminoethylamino)-1,3,7-trimethyl-9H-purin-7-ium-2,6-dione IUPAC Name: 8-(2-diethylaminoethylamino)-1,3,7-trimethyl-9H-purin-7-ium-2,6-dione Traditional Name: 8-(2-diethylaminoethylamino)-1,3,7-trimethyl-9H-purin-7-ium-2,6-quinone Formula: C14H25N6O2+ MolecularWeight: 309.3873

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC1=[N+](C2=C(N1)N(C(=O)N(C2=O)C)C)C

Isomeric SMILES

CCN(CC)CCNC1=[N+](C2=C(N1)N(C(=O)N(C2=O)C)C)C

InChI

InChI=1S/C14H24N6O2/c1-6-20(7-2)9-8-15-13-16-11-10(17(13)3)12(21)19(5)14(22)18(11)4/h6-9H2,1-5H3,(H,15,16,21)/p+1