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

Systemtic Name: 1,3-dimethyl-8-[2-(4-methylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-7-prop-2-enyl-purine-2,6-dione Openeye Name: 7-allyl-1,3-dimethyl-8-[2-(4-methyl-1-piperidyl)-2-oxo-ethyl]sulfanyl-purine-2,6-dione CAS Name: 1,3-dimethyl-8-[[2-(4-methyl-1-piperidinyl)-2-oxoethyl]thio]-7-prop-2-enylpurine-2,6-dione IUPAC Name: 1,3-dimethyl-8-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-7-prop-2-enylpurine-2,6-dione Traditional Name: 7-allyl-8-[[2-keto-2-(4-methylpiperidino)ethyl]thio]-1,3-dimethyl-xanthine Formula: C18H25N5O3S MolecularWeight: 391.4878

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)CSC2=NC3=C(N2CC=C)C(=O)N(C(=O)N3C)C

Isomeric SMILES

CC1CCN(CC1)C(=O)CSC2=NC3=C(N2CC=C)C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C18H25N5O3S/c1-5-8-23-14-15(20(3)18(26)21(4)16(14)25)19-17(23)27-11-13(24)22-9-6-12(2)7-10-22/h5,12H,1,6-11H2,2-4H3