8-(cyclohexylamino)-7-ethyl-3-methyl-9H-purin-7-ium-2,6-dione

Systemtic Name: 8-(cyclohexylamino)-7-ethyl-3-methyl-9H-purin-7-ium-2,6-dione Openeye Name: 8-(cyclohexylamino)-7-ethyl-3-methyl-9H-purin-7-ium-2,6-dione CAS Name: 8-(cyclohexylamino)-7-ethyl-3-methyl-9H-purin-7-ium-2,6-dione IUPAC Name: 8-(cyclohexylamino)-7-ethyl-3-methyl-9H-purin-7-ium-2,6-dione Traditional Name: 8-(cyclohexylamino)-7-ethyl-3-methyl-9H-purin-7-ium-2,6-quinone Formula: C14H22N5O2+ MolecularWeight: 292.35678

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(NC2=C1C(=O)NC(=O)N2C)NC3CCCCC3

Isomeric SMILES

CC[N+]1=C(NC2=C1C(=O)NC(=O)N2C)NC3CCCCC3

InChI

InChI=1S/C14H21N5O2/c1-3-19-10-11(18(2)14(21)17-12(10)20)16-13(19)15-9-7-5-4-6-8-9/h9H,3-8H2,1-2H3,(H2,15,16,17,20,21)/p+1