4-[[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methylsulfanyl]-1-methyl-pyrazolo[3,4-d]pyrimidine

Systemtic Name: 4-[[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methylsulfanyl]-1-methyl-pyrazolo[3,4-d]pyrimidine Openeye Name: 4-[[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methylsulfanyl]-1-methyl-pyrazolo[3,4-d]pyrimidine CAS Name: 4-[[3-(4-methoxyphenyl)-1-phenyl-4-pyrazolyl]methylthio]-1-methylpyrazolo[3,4-d]pyrimidine IUPAC Name: 4-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylsulfanyl]-1-methylpyrazolo[3,4-d]pyrimidine Traditional Name: 4-[[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methylthio]-1-methyl-pyrazolo[3,4-d]pyrimidine Formula: C23H20N6OS MolecularWeight: 428.5095

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H20N6OS/c1-28-22-20(12-26-28)23(25-15-24-22)31-14-17-13-29(18-6-4-3-5-7-18)27-21(17)16-8-10-19(30-2)11-9-16/h3-13,15H,14H2,1-2H3