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

Systemtic Name: 8-(4-ethylpiperazin-4-ium-1-yl)-1,3-dimethyl-7-propan-2-yl-purine-2,6-dione Openeye Name: 8-(4-ethylpiperazin-4-ium-1-yl)-7-isopropyl-1,3-dimethyl-purine-2,6-dione CAS Name: 8-(4-ethyl-1-piperazin-4-iumyl)-1,3-dimethyl-7-propan-2-ylpurine-2,6-dione IUPAC Name: 8-(4-ethylpiperazin-4-ium-1-yl)-1,3-dimethyl-7-propan-2-ylpurine-2,6-dione Traditional Name: 8-(4-ethylpiperazin-4-ium-1-yl)-7-isopropyl-1,3-dimethyl-xanthine Formula: C16H27N6O2+ MolecularWeight: 335.42458

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=NC3=C(N2C(C)C)C(=O)N(C(=O)N3C)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=NC3=C(N2C(C)C)C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C16H26N6O2/c1-6-20-7-9-21(10-8-20)15-17-13-12(22(15)11(2)3)14(23)19(5)16(24)18(13)4/h11H,6-10H2,1-5H3/p+1