4-[[5-chloranyl-1-(phenylmethyl)benzimidazol-2-yl]methylsulfanyl]-1-methyl-pyrazolo[3,4-d]pyrimidine

Systemtic Name: 4-[[5-chloranyl-1-(phenylmethyl)benzimidazol-2-yl]methylsulfanyl]-1-methyl-pyrazolo[3,4-d]pyrimidine Openeye Name: 4-[(1-benzyl-5-chloro-benzimidazol-2-yl)methylsulfanyl]-1-methyl-pyrazolo[3,4-d]pyrimidine CAS Name: 4-[[5-chloro-1-(phenylmethyl)-2-benzimidazolyl]methylthio]-1-methylpyrazolo[3,4-d]pyrimidine IUPAC Name: 4-[(1-benzyl-5-chlorobenzimidazol-2-yl)methylsulfanyl]-1-methylpyrazolo[3,4-d]pyrimidine Traditional Name: 4-[(1-benzyl-5-chloro-benzimidazol-2-yl)methylthio]-1-methyl-pyrazolo[3,4-d]pyrimidine Formula: C21H17ClN6S MolecularWeight: 420.91788

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC=N2)SCC3=NC4=C(N3CC5=CC=CC=C5)C=CC(=C4)Cl

Isomeric SMILES

CN1C2=C(C=N1)C(=NC=N2)SCC3=NC4=C(N3CC5=CC=CC=C5)C=CC(=C4)Cl

InChI

InChI=1S/C21H17ClN6S/c1-27-20-16(10-25-27)21(24-13-23-20)29-12-19-26-17-9-15(22)7-8-18(17)28(19)11-14-5-3-2-4-6-14/h2-10,13H,11-12H2,1H3