5-(2-ethoxyphenyl)-3-methyl-6-(pyridin-2-ylmethylsulfanyl)pyrazolo[3,4-d]pyrimidin-4-amine

Systemtic Name: 5-(2-ethoxyphenyl)-3-methyl-6-(pyridin-2-ylmethylsulfanyl)pyrazolo[3,4-d]pyrimidin-4-amine Openeye Name: 5-(2-ethoxyphenyl)-3-methyl-6-(2-pyridylmethylsulfanyl)pyrazolo[3,4-d]pyrimidin-4-amine CAS Name: 5-(2-ethoxyphenyl)-3-methyl-6-(2-pyridinylmethylthio)-4-pyrazolo[3,4-d]pyrimidinamine IUPAC Name: 5-(2-ethoxyphenyl)-3-methyl-6-(pyridin-2-ylmethylsulfanyl)pyrazolo[3,4-d]pyrimidin-4-amine Traditional Name: [3-methyl-5-o-phenetyl-6-(2-pyridylmethylthio)pyrazolo[3,4-d]pyrimidin-4-yl]amine Formula: C20H20N6OS MolecularWeight: 392.4774

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2C(=C3C(=NN=C3N=C2SCC4=CC=CC=N4)C)N

Isomeric SMILES

CCOC1=CC=CC=C1N2C(=C3C(=NN=C3N=C2SCC4=CC=CC=N4)C)N

InChI

InChI=1S/C20H20N6OS/c1-3-27-16-10-5-4-9-15(16)26-18(21)17-13(2)24-25-19(17)23-20(26)28-12-14-8-6-7-11-22-14/h4-11H,3,12,21H2,1-2H3