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

Systemtic Name: 4-(1H-benzimidazol-2-ylmethylsulfanyl)-1-(phenylmethyl)pyrazolo[3,4-d]pyrimidine Openeye Name: 4-(1H-benzimidazol-2-ylmethylsulfanyl)-1-benzyl-pyrazolo[3,4-d]pyrimidine CAS Name: 4-(1H-benzimidazol-2-ylmethylthio)-1-(phenylmethyl)pyrazolo[3,4-d]pyrimidine IUPAC Name: 4-(1H-benzimidazol-2-ylmethylsulfanyl)-1-benzylpyrazolo[3,4-d]pyrimidine Traditional Name: 4-(1H-benzimidazol-2-ylmethylthio)-1-benzyl-pyrazolo[3,4-d]pyrimidine Formula: C20H16N6S MolecularWeight: 372.44624

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=C(C=N2)C(=NC=N3)SCC4=NC5=CC=CC=C5N4

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=C(C=N2)C(=NC=N3)SCC4=NC5=CC=CC=C5N4

InChI

InChI=1S/C20H16N6S/c1-2-6-14(7-3-1)11-26-19-15(10-23-26)20(22-13-21-19)27-12-18-24-16-8-4-5-9-17(16)25-18/h1-10,13H,11-12H2,(H,24,25)