6-(phenylmethylsulfanyl)-4-piperidin-1-yl-1H-pyrazolo[3,4-d]pyrimidine

Systemtic Name: 6-(phenylmethylsulfanyl)-4-piperidin-1-yl-1H-pyrazolo[3,4-d]pyrimidine Openeye Name: 6-benzylsulfanyl-4-(1-piperidyl)-1H-pyrazolo[3,4-d]pyrimidine CAS Name: 6-(phenylmethylthio)-4-(1-piperidinyl)-1H-pyrazolo[3,4-d]pyrimidine IUPAC Name: 6-benzylsulfanyl-4-piperidin-1-yl-1H-pyrazolo[3,4-d]pyrimidine Traditional Name: 6-(benzylthio)-4-piperidino-1H-pyrazolo[3,4-d]pyrimidine Formula: C17H19N5S MolecularWeight: 325.43126

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=NC(=NC3=C2C=NN3)SCC4=CC=CC=C4

Isomeric SMILES

C1CCN(CC1)C2=NC(=NC3=C2C=NN3)SCC4=CC=CC=C4

InChI

InChI=1S/C17H19N5S/c1-3-7-13(8-4-1)12-23-17-19-15-14(11-18-21-15)16(20-17)22-9-5-2-6-10-22/h1,3-4,7-8,11H,2,5-6,9-10,12H2,(H,18,19,20,21)