1-methyl-4-[(1-phenyl-1,2,3,4-tetrazol-5-yl)methylsulfanyl]pyrazolo[3,4-d]pyrimidine

Systemtic Name: 1-methyl-4-[(1-phenyl-1,2,3,4-tetrazol-5-yl)methylsulfanyl]pyrazolo[3,4-d]pyrimidine Openeye Name: 1-methyl-4-[(1-phenyltetrazol-5-yl)methylsulfanyl]pyrazolo[3,4-d]pyrimidine CAS Name: 1-methyl-4-[(1-phenyl-5-tetrazolyl)methylthio]pyrazolo[3,4-d]pyrimidine IUPAC Name: 1-methyl-4-[(1-phenyltetrazol-5-yl)methylsulfanyl]pyrazolo[3,4-d]pyrimidine Traditional Name: 1-methyl-4-[(1-phenyltetrazol-5-yl)methylthio]pyrazolo[3,4-d]pyrimidine Formula: C14H12N8S MolecularWeight: 324.36368

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC=N2)SCC3=NN=NN3C4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C=N1)C(=NC=N2)SCC3=NN=NN3C4=CC=CC=C4

InChI

InChI=1S/C14H12N8S/c1-21-13-11(7-17-21)14(16-9-15-13)23-8-12-18-19-20-22(12)10-5-3-2-4-6-10/h2-7,9H,8H2,1H3