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

Systemtic Name: 4-[(2,5-dimethylphenyl)methylsulfanyl]-1-(phenylmethyl)pyrazolo[3,4-d]pyrimidine Openeye Name: 1-benzyl-4-[(2,5-dimethylphenyl)methylsulfanyl]pyrazolo[3,4-d]pyrimidine CAS Name: 4-[(2,5-dimethylphenyl)methylthio]-1-(phenylmethyl)pyrazolo[3,4-d]pyrimidine IUPAC Name: 1-benzyl-4-[(2,5-dimethylphenyl)methylsulfanyl]pyrazolo[3,4-d]pyrimidine Traditional Name: 1-benzyl-4-[(2,5-dimethylbenzyl)thio]pyrazolo[3,4-d]pyrimidine Formula: C21H20N4S MolecularWeight: 360.4753

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CSC2=NC=NC3=C2C=NN3CC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(C=C1)C)CSC2=NC=NC3=C2C=NN3CC4=CC=CC=C4

InChI

InChI=1S/C21H20N4S/c1-15-8-9-16(2)18(10-15)13-26-21-19-11-24-25(20(19)22-14-23-21)12-17-6-4-3-5-7-17/h3-11,14H,12-13H2,1-2H3