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

Systemtic Name: 1,3-dimethyl-8-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl-7-propan-2-yl-purine-2,6-dione Openeye Name: 7-isopropyl-1,3-dimethyl-8-[2-oxo-2-(1-piperidyl)ethyl]sulfanyl-purine-2,6-dione CAS Name: 1,3-dimethyl-8-[[2-oxo-2-(1-piperidinyl)ethyl]thio]-7-propan-2-ylpurine-2,6-dione IUPAC Name: 1,3-dimethyl-8-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-7-propan-2-ylpurine-2,6-dione Traditional Name: 7-isopropyl-8-[(2-keto-2-piperidino-ethyl)thio]-1,3-dimethyl-xanthine Formula: C17H25N5O3S MolecularWeight: 379.4771

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=C(N=C1SCC(=O)N3CCCCC3)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CC(C)N1C2=C(N=C1SCC(=O)N3CCCCC3)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C17H25N5O3S/c1-11(2)22-13-14(19(3)17(25)20(4)15(13)24)18-16(22)26-10-12(23)21-8-6-5-7-9-21/h11H,5-10H2,1-4H3