[2-[1,3-dimethyl-2,6-bis(oxidanylidene)-8-piperidin-1-yl-purin-7-yl]ethylamino]methylidene-dimethyl-azanium

Systemtic Name: [2-[1,3-dimethyl-2,6-bis(oxidanylidene)-8-piperidin-1-yl-purin-7-yl]ethylamino]methylidene-dimethyl-azanium Openeye Name: [2-[1,3-dimethyl-2,6-dioxo-8-(1-piperidyl)purin-7-yl]ethylamino]methylene-dimethyl-ammonium CAS Name: [2-[1,3-dimethyl-2,6-dioxo-8-(1-piperidinyl)-7-purinyl]ethylamino]methylidene-dimethylammonium IUPAC Name: [2-(1,3-dimethyl-2,6-dioxo-8-piperidin-1-ylpurin-7-yl)ethylamino]methylidene-dimethylazanium Traditional Name: [2-(2,6-diketo-1,3-dimethyl-8-piperidino-purin-7-yl)ethylamino]methylene-dimethyl-ammonium Formula: C17H28N7O2+ MolecularWeight: 362.44992

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCCCC3)CCNC=[N+](C)C

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCCCC3)CCNC=[N+](C)C

InChI

InChI=1S/C17H27N7O2/c1-20(2)12-18-8-11-24-13-14(21(3)17(26)22(4)15(13)25)19-16(24)23-9-6-5-7-10-23/h12H,5-11H2,1-4H3/p+1