5-(phenylmethylsulfanyl)-7-piperidin-1-yl-2H-[1,2,3]triazolo[4,5-d]pyrimidine

Systemtic Name: 5-(phenylmethylsulfanyl)-7-piperidin-1-yl-2H-[1,2,3]triazolo[4,5-d]pyrimidine Openeye Name: 5-benzylsulfanyl-7-(1-piperidyl)-2H-triazolo[4,5-d]pyrimidine CAS Name: 5-(phenylmethylthio)-7-(1-piperidinyl)-2H-triazolo[4,5-d]pyrimidine IUPAC Name: 5-benzylsulfanyl-7-piperidin-1-yl-2H-triazolo[4,5-d]pyrimidine Traditional Name: 5-(benzylthio)-7-piperidino-2H-triazolo[4,5-d]pyrimidine Formula: C16H18N6S MolecularWeight: 326.41932

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=NC(=NC3=NNN=C32)SCC4=CC=CC=C4

Isomeric SMILES

C1CCN(CC1)C2=NC(=NC3=NNN=C32)SCC4=CC=CC=C4

InChI

InChI=1S/C16H18N6S/c1-3-7-12(8-4-1)11-23-16-17-14-13(19-21-20-14)15(18-16)22-9-5-2-6-10-22/h1,3-4,7-8H,2,5-6,9-11H2,(H,17,18,19,20,21)