7-ethyl-8-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-ethyl-8-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-ethyl-8-[2-[(2S)-2-ethyl-1-piperidyl]-2-oxo-ethyl]sulfanyl-1,3-dimethyl-purine-2,6-dione CAS Name: 7-ethyl-8-[[2-[(2S)-2-ethyl-1-piperidinyl]-2-oxoethyl]thio]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-ethyl-8-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]sulfanyl-1,3-dimethylpurine-2,6-dione Traditional Name: 7-ethyl-8-[[2-[(2S)-2-ethylpiperidino]-2-keto-ethyl]thio]-1,3-dimethyl-xanthine Formula: C18H27N5O3S MolecularWeight: 393.50368

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1C(=O)CSC2=NC3=C(N2CC)C(=O)N(C(=O)N3C)C

Isomeric SMILES

CC[C@H]1CCCCN1C(=O)CSC2=NC3=C(N2CC)C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C18H27N5O3S/c1-5-12-9-7-8-10-23(12)13(24)11-27-17-19-15-14(22(17)6-2)16(25)21(4)18(26)20(15)3/h12H,5-11H2,1-4H3/t12-/m0/s1