4-[2-(3-methylphenoxy)ethylsulfanyl]-1-phenyl-pyrazolo[3,4-d]pyrimidine

Systemtic Name: 4-[2-(3-methylphenoxy)ethylsulfanyl]-1-phenyl-pyrazolo[3,4-d]pyrimidine Openeye Name: 4-[2-(3-methylphenoxy)ethylsulfanyl]-1-phenyl-pyrazolo[3,4-d]pyrimidine CAS Name: 4-[2-(3-methylphenoxy)ethylthio]-1-phenylpyrazolo[3,4-d]pyrimidine IUPAC Name: 4-[2-(3-methylphenoxy)ethylsulfanyl]-1-phenylpyrazolo[3,4-d]pyrimidine Traditional Name: 4-[2-(3-methylphenoxy)ethylthio]-1-phenyl-pyrazolo[3,4-d]pyrimidine Formula: C20H18N4OS MolecularWeight: 362.44812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCSC2=NC=NC3=C2C=NN3C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=CC=C1)OCCSC2=NC=NC3=C2C=NN3C4=CC=CC=C4

InChI

InChI=1S/C20H18N4OS/c1-15-6-5-9-17(12-15)25-10-11-26-20-18-13-23-24(19(18)21-14-22-20)16-7-3-2-4-8-16/h2-9,12-14H,10-11H2,1H3