4-[(2,5-dimethylphenyl)methylsulfanyl]-1-phenyl-pyrazolo[3,4-d]pyrimidine

Systemtic Name: 4-[(2,5-dimethylphenyl)methylsulfanyl]-1-phenyl-pyrazolo[3,4-d]pyrimidine Openeye Name: 4-[(2,5-dimethylphenyl)methylsulfanyl]-1-phenyl-pyrazolo[3,4-d]pyrimidine CAS Name: 4-[(2,5-dimethylphenyl)methylthio]-1-phenylpyrazolo[3,4-d]pyrimidine IUPAC Name: 4-[(2,5-dimethylphenyl)methylsulfanyl]-1-phenylpyrazolo[3,4-d]pyrimidine Traditional Name: 4-[(2,5-dimethylbenzyl)thio]-1-phenyl-pyrazolo[3,4-d]pyrimidine Formula: C20H18N4S MolecularWeight: 346.44872

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CSC2=NC=NC3=C2C=NN3C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(C=C1)C)CSC2=NC=NC3=C2C=NN3C4=CC=CC=C4

InChI

InChI=1S/C20H18N4S/c1-14-8-9-15(2)16(10-14)12-25-20-18-11-23-24(19(18)21-13-22-20)17-6-4-3-5-7-17/h3-11,13H,12H2,1-2H3