N-[2-(4-methylphenyl)ethyl]-6-methylsulfanyl-1-(oxan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine

Systemtic Name: N-[2-(4-methylphenyl)ethyl]-6-methylsulfanyl-1-(oxan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine Openeye Name: 6-methylsulfanyl-N-[2-(p-tolyl)ethyl]-1-tetrahydropyran-2-yl-pyrazolo[3,4-d]pyrimidin-4-amine CAS Name: N-[2-(4-methylphenyl)ethyl]-6-(methylthio)-1-(2-oxanyl)-4-pyrazolo[3,4-d]pyrimidinamine IUPAC Name: N-[2-(4-methylphenyl)ethyl]-6-methylsulfanyl-1-(oxan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine Traditional Name: [6-(methylthio)-1-tetrahydropyran-2-yl-pyrazolo[3,4-d]pyrimidin-4-yl]-[2-(p-tolyl)ethyl]amine Formula: C20H25N5OS MolecularWeight: 383.5104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CCNC2=NC(=NC3=C2C=NN3C4CCCCO4)SC

Isomeric SMILES

CC1=CC=C(C=C1)CCNC2=NC(=NC3=C2C=NN3C4CCCCO4)SC

InChI

InChI=1S/C20H25N5OS/c1-14-6-8-15(9-7-14)10-11-21-18-16-13-22-25(17-5-3-4-12-26-17)19(16)24-20(23-18)27-2/h6-9,13,17H,3-5,10-12H2,1-2H3,(H,21,23,24)