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

Systemtic Name: 1-methyl-4-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]pyrazolo[3,4-d]pyrimidine Openeye Name: 1-methyl-4-(1-phenyltetrazol-5-yl)sulfanyl-pyrazolo[3,4-d]pyrimidine CAS Name: 1-methyl-4-[(1-phenyl-5-tetrazolyl)thio]pyrazolo[3,4-d]pyrimidine IUPAC Name: 1-methyl-4-(1-phenyltetrazol-5-yl)sulfanylpyrazolo[3,4-d]pyrimidine Traditional Name: 1-methyl-4-[(1-phenyltetrazol-5-yl)thio]pyrazolo[3,4-d]pyrimidine Formula: C13H10N8S MolecularWeight: 310.3371

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC=N2)SC3=NN=NN3C4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C=N1)C(=NC=N2)SC3=NN=NN3C4=CC=CC=C4

InChI

InChI=1S/C13H10N8S/c1-20-11-10(7-16-20)12(15-8-14-11)22-13-17-18-19-21(13)9-5-3-2-4-6-9/h2-8H,1H3