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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=NC3=C(N2CCC(C)C)C(=O)NC(=O)N3C

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=NC3=C(N2CCC(C)C)C(=O)NC(=O)N3C

InChI

InChI=1S/C17H28N6O2/c1-5-21-8-10-22(11-9-21)16-18-14-13(23(16)7-6-12(2)3)15(24)19-17(25)20(14)4/h12H,5-11H2,1-4H3,(H,19,24,25)/p+1