8-[2-(4-ethylpiperazin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-1,3,7-trimethyl-purine-2,6-dione

Systemtic Name: 8-[2-(4-ethylpiperazin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-1,3,7-trimethyl-purine-2,6-dione Openeye Name: 8-[2-(4-ethylpiperazin-1-yl)-2-oxo-ethyl]sulfanyl-1,3,7-trimethyl-purine-2,6-dione CAS Name: 8-[[2-(4-ethyl-1-piperazinyl)-2-oxoethyl]thio]-1,3,7-trimethylpurine-2,6-dione IUPAC Name: 8-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]sulfanyl-1,3,7-trimethylpurine-2,6-dione Traditional Name: 8-[[2-(4-ethylpiperazino)-2-keto-ethyl]thio]-1,3,7-trimethyl-xanthine Formula: C16H24N6O3S MolecularWeight: 380.46516

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C(=O)CSC2=NC3=C(N2C)C(=O)N(C(=O)N3C)C

Isomeric SMILES

CCN1CCN(CC1)C(=O)CSC2=NC3=C(N2C)C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C16H24N6O3S/c1-5-21-6-8-22(9-7-21)11(23)10-26-15-17-13-12(18(15)2)14(24)20(4)16(25)19(13)3/h5-10H2,1-4H3