1-ethyl-1,3-dimethyl-7-(4-methyl-1,4-diazepan-1-yl)purin-1-ium-2,6-dione

Systemtic Name: 1-ethyl-1,3-dimethyl-7-(4-methyl-1,4-diazepan-1-yl)purin-1-ium-2,6-dione Openeye Name: 1-ethyl-1,3-dimethyl-7-(4-methyl-1,4-diazepan-1-yl)purin-1-ium-2,6-dione CAS Name: 1-ethyl-1,3-dimethyl-7-(4-methyl-1,4-diazepan-1-yl)purin-1-ium-2,6-dione IUPAC Name: 1-ethyl-1,3-dimethyl-7-(4-methyl-1,4-diazepan-1-yl)purin-1-ium-2,6-dione Traditional Name: 1-ethyl-1,3-dimethyl-7-(4-methyl-1,4-diazepan-1-yl)purin-1-ium-2,6-quinone Formula: C15H25N6O2+ MolecularWeight: 321.398

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(C(=O)C2=C(N=CN2N3CCCN(CC3)C)N(C1=O)C)C

Isomeric SMILES

CC[N+]1(C(=O)C2=C(N=CN2N3CCCN(CC3)C)N(C1=O)C)C

InChI

InChI=1S/C15H25N6O2/c1-5-21(4)14(22)12-13(18(3)15(21)23)16-11-20(12)19-8-6-7-17(2)9-10-19/h11H,5-10H2,1-4H3/q+1