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

Systemtic Name: 1,3-dimethyl-8-(2-piperidin-1-ylethylsulfanyl)-7H-purine-2,6-dione Openeye Name: 1,3-dimethyl-8-[2-(1-piperidyl)ethylsulfanyl]-7H-purine-2,6-dione CAS Name: 1,3-dimethyl-8-[2-(1-piperidinyl)ethylthio]-7H-purine-2,6-dione IUPAC Name: 1,3-dimethyl-8-(2-piperidin-1-ylethylsulfanyl)-7H-purine-2,6-dione Traditional Name: 1,3-dimethyl-8-(2-piperidinoethylthio)-7H-purine-2,6-quinone Formula: C14H21N5O2S MolecularWeight: 323.41384

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)SCCN3CCCCC3

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)SCCN3CCCCC3

InChI

InChI=1S/C14H21N5O2S/c1-17-11-10(12(20)18(2)14(17)21)15-13(16-11)22-9-8-19-6-4-3-5-7-19/h3-9H2,1-2H3,(H,15,16)