1-methyl-4-[2-(3-methyl-4-propan-2-yl-phenoxy)ethylsulfanyl]pyrazolo[3,4-d]pyrimidine

Systemtic Name: 1-methyl-4-[2-(3-methyl-4-propan-2-yl-phenoxy)ethylsulfanyl]pyrazolo[3,4-d]pyrimidine Openeye Name: 4-[2-(4-isopropyl-3-methyl-phenoxy)ethylsulfanyl]-1-methyl-pyrazolo[3,4-d]pyrimidine CAS Name: 1-methyl-4-[2-(3-methyl-4-propan-2-ylphenoxy)ethylthio]pyrazolo[3,4-d]pyrimidine IUPAC Name: 1-methyl-4-[2-(3-methyl-4-propan-2-ylphenoxy)ethylsulfanyl]pyrazolo[3,4-d]pyrimidine Traditional Name: 4-[2-(4-isopropyl-3-methyl-phenoxy)ethylthio]-1-methyl-pyrazolo[3,4-d]pyrimidine Formula: C18H22N4OS MolecularWeight: 342.45848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCCSC2=NC=NC3=C2C=NN3C)C(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)OCCSC2=NC=NC3=C2C=NN3C)C(C)C

InChI

InChI=1S/C18H22N4OS/c1-12(2)15-6-5-14(9-13(15)3)23-7-8-24-18-16-10-21-22(4)17(16)19-11-20-18/h5-6,9-12H,7-8H2,1-4H3