8-(azepan-1-ium-1-ylidene)-3-methyl-7,9-dihydropurine-2,6-dione

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)NC(=[N+]3CCCCCC3)N2

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)NC(=[N+]3CCCCCC3)N2

InChI

InChI=1S/C12H17N5O2/c1-16-9-8(10(18)15-12(16)19)13-11(14-9)17-6-4-2-3-5-7-17/h2-7H2,1H3,(H2,13,14,15,18,19)/p+1