8-(4-ethylpiperazin-4-ium-1-yl)-3-methyl-7-pentyl-purine-2,6-dione

Systemtic Name: 8-(4-ethylpiperazin-4-ium-1-yl)-3-methyl-7-pentyl-purine-2,6-dione Openeye Name: 8-(4-ethylpiperazin-4-ium-1-yl)-3-methyl-7-pentyl-purine-2,6-dione CAS Name: 8-(4-ethyl-1-piperazin-4-iumyl)-3-methyl-7-pentylpurine-2,6-dione IUPAC Name: 8-(4-ethylpiperazin-4-ium-1-yl)-3-methyl-7-pentylpurine-2,6-dione Traditional Name: 7-amyl-8-(4-ethylpiperazin-4-ium-1-yl)-3-methyl-xanthine Formula: C17H29N6O2+ MolecularWeight: 349.45116

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C2=C(N=C1N3CC[NH+](CC3)CC)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCN1C2=C(N=C1N3CC[NH+](CC3)CC)N(C(=O)NC2=O)C

InChI

InChI=1S/C17H28N6O2/c1-4-6-7-8-23-13-14(20(3)17(25)19-15(13)24)18-16(23)22-11-9-21(5-2)10-12-22/h4-12H2,1-3H3,(H,19,24,25)/p+1