1-(phenylmethyl)pyrazolo[3,4-d]pyrimidine-4-thiolate

Systemtic Name: 1-(phenylmethyl)pyrazolo[3,4-d]pyrimidine-4-thiolate Openeye Name: 1-benzylpyrazolo[3,4-d]pyrimidine-4-thiolate CAS Name: 1-(phenylmethyl)-4-pyrazolo[3,4-d]pyrimidinethiolate IUPAC Name: 1-benzylpyrazolo[3,4-d]pyrimidine-4-thiolate Traditional Name: 1-benzylpyrazolo[3,4-d]pyrimidine-4-thiolate Formula: C12H9N4S- MolecularWeight: 241.29166

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=C(C=N2)C(=NC=N3)[S-]

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=C(C=N2)C(=NC=N3)[S-]

InChI

InChI=1S/C12H10N4S/c17-12-10-6-15-16(11(10)13-8-14-12)7-9-4-2-1-3-5-9/h1-6,8H,7H2,(H,13,14,17)/p-1