1,3-dimethyl-8-(2-piperidin-1-ylethylsulfanyl)-7-propyl-purine-2,6-dione

Systemtic Name: 1,3-dimethyl-8-(2-piperidin-1-ylethylsulfanyl)-7-propyl-purine-2,6-dione Openeye Name: 1,3-dimethyl-8-[2-(1-piperidyl)ethylsulfanyl]-7-propyl-purine-2,6-dione CAS Name: 1,3-dimethyl-8-[2-(1-piperidinyl)ethylthio]-7-propylpurine-2,6-dione IUPAC Name: 1,3-dimethyl-8-(2-piperidin-1-ylethylsulfanyl)-7-propylpurine-2,6-dione Traditional Name: 1,3-dimethyl-8-(2-piperidinoethylthio)-7-propyl-xanthine Formula: C17H27N5O2S MolecularWeight: 365.49358

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(N=C1SCCN3CCCCC3)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCCN1C2=C(N=C1SCCN3CCCCC3)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C17H27N5O2S/c1-4-8-22-13-14(19(2)17(24)20(3)15(13)23)18-16(22)25-12-11-21-9-6-5-7-10-21/h4-12H2,1-3H3