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

Systemtic Name: 8-[2-(2,6-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-1,3-dimethyl-7-propan-2-yl-purine-2,6-dione Openeye Name: 8-[2-(2,6-dimethyl-1-piperidyl)-2-oxo-ethyl]sulfanyl-7-isopropyl-1,3-dimethyl-purine-2,6-dione CAS Name: 8-[[2-(2,6-dimethyl-1-piperidinyl)-2-oxoethyl]thio]-1,3-dimethyl-7-propan-2-ylpurine-2,6-dione IUPAC Name: 8-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]sulfanyl-1,3-dimethyl-7-propan-2-ylpurine-2,6-dione Traditional Name: 8-[[2-(2,6-dimethylpiperidino)-2-keto-ethyl]thio]-7-isopropyl-1,3-dimethyl-xanthine Formula: C19H29N5O3S MolecularWeight: 407.53026

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(N1C(=O)CSC2=NC3=C(N2C(C)C)C(=O)N(C(=O)N3C)C)C

Isomeric SMILES

CC1CCCC(N1C(=O)CSC2=NC3=C(N2C(C)C)C(=O)N(C(=O)N3C)C)C

InChI

InChI=1S/C19H29N5O3S/c1-11(2)23-15-16(21(5)19(27)22(6)17(15)26)20-18(23)28-10-14(25)24-12(3)8-7-9-13(24)4/h11-13H,7-10H2,1-6H3