1,3,7-trimethyl-8-piperazine-1,4-diium-1-ylidene-9H-purine-2,6-dione

Systemtic Name: 1,3,7-trimethyl-8-piperazine-1,4-diium-1-ylidene-9H-purine-2,6-dione Openeye Name: 1,3,7-trimethyl-8-piperazine-1,4-diium-1-ylidene-9H-purine-2,6-dione CAS Name: 1,3,7-trimethyl-8-(1-piperazine-1,4-diiumylidene)-9H-purine-2,6-dione IUPAC Name: 1,3,7-trimethyl-8-piperazine-1,4-diium-1-ylidene-9H-purine-2,6-dione Traditional Name: 1,3,7-trimethyl-8-piperazine-1,4-diium-1-ylidene-9H-purine-2,6-quinone Formula: C12H20N6O2+2 MolecularWeight: 280.3262

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(NC1=[N+]3CC[NH2+]CC3)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CN1C2=C(NC1=[N+]3CC[NH2+]CC3)N(C(=O)N(C2=O)C)C

InChI

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