7H-purin-6-ylsulfanylmethyl piperidine-4-carboxylate

Systemtic Name: 7H-purin-6-ylsulfanylmethyl piperidine-4-carboxylate Openeye Name: 7H-purin-6-ylsulfanylmethyl piperidine-4-carboxylate CAS Name: 4-piperidinecarboxylic acid (7H-purin-6-ylthio)methyl ester IUPAC Name: 7H-purin-6-ylsulfanylmethyl piperidine-4-carboxylate Traditional Name: isonipecotic acid (7H-purin-6-ylthio)methyl ester Formula: C12H15N5O2S MolecularWeight: 293.3448

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1C(=O)OCSC2=NC=NC3=C2NC=N3

Isomeric SMILES

C1CNCCC1C(=O)OCSC2=NC=NC3=C2NC=N3

InChI

InChI=1S/C12H15N5O2S/c18-12(8-1-3-13-4-2-8)19-7-20-11-9-10(15-5-14-9)16-6-17-11/h5-6,8,13H,1-4,7H2,(H,14,15,16,17)