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

Systemtic Name: 1,3-dimethyl-8-[2-(3-methylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-7-propan-2-yl-purine-2,6-dione Openeye Name: 7-isopropyl-1,3-dimethyl-8-[2-(3-methyl-1-piperidyl)-2-oxo-ethyl]sulfanyl-purine-2,6-dione CAS Name: 1,3-dimethyl-8-[[2-(3-methyl-1-piperidinyl)-2-oxoethyl]thio]-7-propan-2-ylpurine-2,6-dione IUPAC Name: 1,3-dimethyl-8-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-7-propan-2-ylpurine-2,6-dione Traditional Name: 7-isopropyl-8-[[2-keto-2-(3-methylpiperidino)ethyl]thio]-1,3-dimethyl-xanthine Formula: C18H27N5O3S MolecularWeight: 393.50368

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)CSC2=NC3=C(N2C(C)C)C(=O)N(C(=O)N3C)C

Isomeric SMILES

CC1CCCN(C1)C(=O)CSC2=NC3=C(N2C(C)C)C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C18H27N5O3S/c1-11(2)23-14-15(20(4)18(26)21(5)16(14)25)19-17(23)27-10-13(24)22-8-6-7-12(3)9-22/h11-12H,6-10H2,1-5H3