7-[(2S)-1-(4-ethylpiperazin-1-yl)-1-oxidanylidene-propan-2-yl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[(2S)-1-(4-ethylpiperazin-1-yl)-1-oxidanylidene-propan-2-yl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[(1S)-2-(4-ethylpiperazin-1-yl)-1-methyl-2-oxo-ethyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(2S)-1-(4-ethyl-1-piperazinyl)-1-oxopropan-2-yl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[(2S)-1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[(1S)-2-(4-ethylpiperazino)-2-keto-1-methyl-ethyl]-1,3-dimethyl-xanthine Formula: C16H24N6O3 MolecularWeight: 348.40016

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C(=O)C(C)N2C=NC3=C2C(=O)N(C(=O)N3C)C

Isomeric SMILES

CCN1CCN(CC1)C(=O)[C@H](C)N2C=NC3=C2C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C16H24N6O3/c1-5-20-6-8-21(9-7-20)14(23)11(2)22-10-17-13-12(22)15(24)19(4)16(25)18(13)3/h10-11H,5-9H2,1-4H3/t11-/m0/s1