8-(1,4-diazepan-4-ium-1-yl)-1,3-dimethyl-7H-purine-2,6-dione

Systemtic Name: 8-(1,4-diazepan-4-ium-1-yl)-1,3-dimethyl-7H-purine-2,6-dione Openeye Name: 8-(1,4-diazepan-4-ium-1-yl)-1,3-dimethyl-7H-purine-2,6-dione CAS Name: 8-(1,4-diazepan-4-ium-1-yl)-1,3-dimethyl-7H-purine-2,6-dione IUPAC Name: 8-(1,4-diazepan-4-ium-1-yl)-1,3-dimethyl-7H-purine-2,6-dione Traditional Name: 8-(1,4-diazepan-4-ium-1-yl)-1,3-dimethyl-7H-purine-2,6-quinone Formula: C12H19N6O2+ MolecularWeight: 279.31826

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)N3CCC[NH2+]CC3

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)N3CCC[NH2+]CC3

InChI

InChI=1S/C12H18N6O2/c1-16-9-8(10(19)17(2)12(16)20)14-11(15-9)18-6-3-4-13-5-7-18/h13H,3-7H2,1-2H3,(H,14,15)/p+1