7-cyclohexyl-1,3,7-trimethyl-8-piperazin-1-yl-purin-7-ium-2,6-dione

Systemtic Name: 7-cyclohexyl-1,3,7-trimethyl-8-piperazin-1-yl-purin-7-ium-2,6-dione Openeye Name: 7-cyclohexyl-1,3,7-trimethyl-8-piperazin-1-yl-purin-7-ium-2,6-dione CAS Name: 7-cyclohexyl-1,3,7-trimethyl-8-(1-piperazinyl)purin-7-ium-2,6-dione IUPAC Name: 7-cyclohexyl-1,3,7-trimethyl-8-piperazin-1-ylpurin-7-ium-2,6-dione Traditional Name: 7-cyclohexyl-1,3,7-trimethyl-8-piperazino-purin-7-ium-2,6-quinone Formula: C18H29N6O2+ MolecularWeight: 361.46186

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)[N+](C(=N2)N3CCNCC3)(C)C4CCCCC4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)[N+](C(=N2)N3CCNCC3)(C)C4CCCCC4

InChI

InChI=1S/C18H29N6O2/c1-21-15-14(16(25)22(2)18(21)26)24(3,13-7-5-4-6-8-13)17(20-15)23-11-9-19-10-12-23/h13,19H,4-12H2,1-3H3/q+1