8-(4-ethylpiperazin-4-ium-1-yl)-3-methyl-7-[(2S)-2-oxidanylpropyl]purine-2,6-dione

Systemtic Name: 8-(4-ethylpiperazin-4-ium-1-yl)-3-methyl-7-[(2S)-2-oxidanylpropyl]purine-2,6-dione Openeye Name: 8-(4-ethylpiperazin-4-ium-1-yl)-7-[(2S)-2-hydroxypropyl]-3-methyl-purine-2,6-dione CAS Name: 8-(4-ethyl-1-piperazin-4-iumyl)-7-[(2S)-2-hydroxypropyl]-3-methylpurine-2,6-dione IUPAC Name: 8-(4-ethylpiperazin-4-ium-1-yl)-7-[(2S)-2-hydroxypropyl]-3-methylpurine-2,6-dione Traditional Name: 8-(4-ethylpiperazin-4-ium-1-yl)-7-[(2S)-2-hydroxypropyl]-3-methyl-xanthine Formula: C15H25N6O3+ MolecularWeight: 337.3974

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=NC3=C(N2CC(C)O)C(=O)NC(=O)N3C

Isomeric SMILES

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

InChI

InChI=1S/C15H24N6O3/c1-4-19-5-7-20(8-6-19)14-16-12-11(21(14)9-10(2)22)13(23)17-15(24)18(12)3/h10,22H,4-9H2,1-3H3,(H,17,23,24)/p+1/t10-/m0/s1