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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(N=C1SCC(=O)N3CCCCC3)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCCN1C2=C(N=C1SCC(=O)N3CCCCC3)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C17H25N5O3S/c1-4-8-22-13-14(19(2)17(25)20(3)15(13)24)18-16(22)26-11-12(23)21-9-6-5-7-10-21/h4-11H2,1-3H3