ethyl 2-[3-(2-butylsulfanylethoxy)-2-phenyl-pyrazolo[4,3-d]pyrimidin-7-yl]sulfanylethanoate

Systemtic Name: ethyl 2-[3-(2-butylsulfanylethoxy)-2-phenyl-pyrazolo[4,3-d]pyrimidin-7-yl]sulfanylethanoate Openeye Name: ethyl 2-[3-(2-butylsulfanylethoxy)-2-phenyl-pyrazolo[4,3-d]pyrimidin-7-yl]sulfanylacetate CAS Name: 2-[[3-[2-(butylthio)ethoxy]-2-phenyl-7-pyrazolo[4,3-d]pyrimidinyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-(2-butylsulfanylethoxy)-2-phenylpyrazolo[4,3-d]pyrimidin-7-yl]sulfanylacetate Traditional Name: 2-[[3-[2-(butylthio)ethoxy]-2-phenyl-pyrazolo[4,3-d]pyrimidin-7-yl]thio]acetic acid ethyl ester Formula: C21H26N4O3S2 MolecularWeight: 446.58614

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSCCOC1=C2C(=NN1C3=CC=CC=C3)C(=NC=N2)SCC(=O)OCC

Isomeric SMILES

CCCCSCCOC1=C2C(=NN1C3=CC=CC=C3)C(=NC=N2)SCC(=O)OCC

InChI

InChI=1S/C21H26N4O3S2/c1-3-5-12-29-13-11-28-21-19-18(24-25(21)16-9-7-6-8-10-16)20(23-15-22-19)30-14-17(26)27-4-2/h6-10,15H,3-5,11-14H2,1-2H3