4-(4-methylsulfanylpyrazolo[3,4-d]pyrimidin-1-yl)butyl ethanoate

Systemtic Name: 4-(4-methylsulfanylpyrazolo[3,4-d]pyrimidin-1-yl)butyl ethanoate Openeye Name: 4-(4-methylsulfanylpyrazolo[3,4-d]pyrimidin-1-yl)butyl acetate CAS Name: acetic acid 4-[4-(methylthio)-1-pyrazolo[3,4-d]pyrimidinyl]butyl ester IUPAC Name: 4-(4-methylsulfanylpyrazolo[3,4-d]pyrimidin-1-yl)butyl acetate Traditional Name: acetic acid 4-[4-(methylthio)pyrazolo[3,4-d]pyrimidin-1-yl]butyl ester Formula: C12H16N4O2S MolecularWeight: 280.34604

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCCCN1C2=C(C=N1)C(=NC=N2)SC

Isomeric SMILES

CC(=O)OCCCCN1C2=C(C=N1)C(=NC=N2)SC

InChI

InChI=1S/C12H16N4O2S/c1-9(17)18-6-4-3-5-16-11-10(7-15-16)12(19-2)14-8-13-11/h7-8H,3-6H2,1-2H3