4-[(1,3-diphenylpyrazol-4-yl)methylsulfanyl]-1-methyl-pyrazolo[3,4-d]pyrimidine

Systemtic Name: 4-[(1,3-diphenylpyrazol-4-yl)methylsulfanyl]-1-methyl-pyrazolo[3,4-d]pyrimidine Openeye Name: 4-[(1,3-diphenylpyrazol-4-yl)methylsulfanyl]-1-methyl-pyrazolo[3,4-d]pyrimidine CAS Name: 4-[(1,3-diphenyl-4-pyrazolyl)methylthio]-1-methylpyrazolo[3,4-d]pyrimidine IUPAC Name: 4-[(1,3-diphenylpyrazol-4-yl)methylsulfanyl]-1-methylpyrazolo[3,4-d]pyrimidine Traditional Name: 4-[(1,3-diphenylpyrazol-4-yl)methylthio]-1-methyl-pyrazolo[3,4-d]pyrimidine Formula: C22H18N6S MolecularWeight: 398.48352

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC=N2)SCC3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CN1C2=C(C=N1)C(=NC=N2)SCC3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C22H18N6S/c1-27-21-19(12-25-27)22(24-15-23-21)29-14-17-13-28(18-10-6-3-7-11-18)26-20(17)16-8-4-2-5-9-16/h2-13,15H,14H2,1H3