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

Systemtic Name: 8-[2-(4-ethylpiperazin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-1,3-dimethyl-7-propan-2-yl-purine-2,6-dione Openeye Name: 8-[2-(4-ethylpiperazin-1-yl)-2-oxo-ethyl]sulfanyl-7-isopropyl-1,3-dimethyl-purine-2,6-dione CAS Name: 8-[[2-(4-ethyl-1-piperazinyl)-2-oxoethyl]thio]-1,3-dimethyl-7-propan-2-ylpurine-2,6-dione IUPAC Name: 8-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]sulfanyl-1,3-dimethyl-7-propan-2-ylpurine-2,6-dione Traditional Name: 8-[[2-(4-ethylpiperazino)-2-keto-ethyl]thio]-7-isopropyl-1,3-dimethyl-xanthine Formula: C18H28N6O3S MolecularWeight: 408.51832

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28N6O3S/c1-6-22-7-9-23(10-8-22)13(25)11-28-17-19-15-14(24(17)12(2)3)16(26)21(5)18(27)20(15)4/h12H,6-11H2,1-5H3