4-(1H-benzimidazol-2-ylmethylsulfanyl)-1-phenyl-pyrazolo[3,4-d]pyrimidine

Systemtic Name: 4-(1H-benzimidazol-2-ylmethylsulfanyl)-1-phenyl-pyrazolo[3,4-d]pyrimidine Openeye Name: 4-(1H-benzimidazol-2-ylmethylsulfanyl)-1-phenyl-pyrazolo[3,4-d]pyrimidine CAS Name: 4-(1H-benzimidazol-2-ylmethylthio)-1-phenylpyrazolo[3,4-d]pyrimidine IUPAC Name: 4-(1H-benzimidazol-2-ylmethylsulfanyl)-1-phenylpyrazolo[3,4-d]pyrimidine Traditional Name: 4-(1H-benzimidazol-2-ylmethylthio)-1-phenyl-pyrazolo[3,4-d]pyrimidine Formula: C19H14N6S MolecularWeight: 358.41966

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)SCC4=NC5=CC=CC=C5N4

Isomeric SMILES

C1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)SCC4=NC5=CC=CC=C5N4

InChI

InChI=1S/C19H14N6S/c1-2-6-13(7-3-1)25-18-14(10-22-25)19(21-12-20-18)26-11-17-23-15-8-4-5-9-16(15)24-17/h1-10,12H,11H2,(H,23,24)