1-(2-chloranyl-2-phenyl-ethyl)-N-[(4-methoxyphenyl)methyl]-6-methylsulfanyl-pyrazolo[3,4-d]pyrimidin-4-amine

Systemtic Name: 1-(2-chloranyl-2-phenyl-ethyl)-N-[(4-methoxyphenyl)methyl]-6-methylsulfanyl-pyrazolo[3,4-d]pyrimidin-4-amine Openeye Name: 1-(2-chloro-2-phenyl-ethyl)-N-[(4-methoxyphenyl)methyl]-6-methylsulfanyl-pyrazolo[3,4-d]pyrimidin-4-amine CAS Name: 1-(2-chloro-2-phenylethyl)-N-[(4-methoxyphenyl)methyl]-6-(methylthio)-4-pyrazolo[3,4-d]pyrimidinamine IUPAC Name: 1-(2-chloro-2-phenylethyl)-N-[(4-methoxyphenyl)methyl]-6-methylsulfanylpyrazolo[3,4-d]pyrimidin-4-amine Traditional Name: [1-(2-chloro-2-phenyl-ethyl)-6-(methylthio)pyrazolo[3,4-d]pyrimidin-4-yl]-p-anisyl-amine Formula: C22H22ClN5OS MolecularWeight: 439.96098

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC2=NC(=NC3=C2C=NN3CC(C4=CC=CC=C4)Cl)SC

Isomeric SMILES

COC1=CC=C(C=C1)CNC2=NC(=NC3=C2C=NN3CC(C4=CC=CC=C4)Cl)SC

InChI

InChI=1S/C22H22ClN5OS/c1-29-17-10-8-15(9-11-17)12-24-20-18-13-25-28(21(18)27-22(26-20)30-2)14-19(23)16-6-4-3-5-7-16/h3-11,13,19H,12,14H2,1-2H3,(H,24,26,27)