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

Systemtic Name: 8-(4-ethylpiperazin-4-ium-1-yl)-3-methyl-7-propyl-purine-2,6-dione Openeye Name: 8-(4-ethylpiperazin-4-ium-1-yl)-3-methyl-7-propyl-purine-2,6-dione CAS Name: 8-(4-ethyl-1-piperazin-4-iumyl)-3-methyl-7-propylpurine-2,6-dione IUPAC Name: 8-(4-ethylpiperazin-4-ium-1-yl)-3-methyl-7-propylpurine-2,6-dione Traditional Name: 8-(4-ethylpiperazin-4-ium-1-yl)-3-methyl-7-propyl-xanthine Formula: C15H25N6O2+ MolecularWeight: 321.398

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(N=C1N3CC[NH+](CC3)CC)N(C(=O)NC2=O)C

Isomeric SMILES

CCCN1C2=C(N=C1N3CC[NH+](CC3)CC)N(C(=O)NC2=O)C

InChI

InChI=1S/C15H24N6O2/c1-4-6-21-11-12(18(3)15(23)17-13(11)22)16-14(21)20-9-7-19(5-2)8-10-20/h4-10H2,1-3H3,(H,17,22,23)/p+1