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

Systemtic Name: ethyl 2-[3-[(E)-hex-3-enoxy]-2-phenyl-pyrazolo[4,3-d]pyrimidin-7-yl]sulfanylethanoate Openeye Name: ethyl 2-[3-[(E)-hex-3-enoxy]-2-phenyl-pyrazolo[4,3-d]pyrimidin-7-yl]sulfanylacetate CAS Name: 2-[[3-[(E)-hex-3-enoxy]-2-phenyl-7-pyrazolo[4,3-d]pyrimidinyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-[(E)-hex-3-enoxy]-2-phenylpyrazolo[4,3-d]pyrimidin-7-yl]sulfanylacetate Traditional Name: 2-[[3-[(E)-hex-3-enoxy]-2-phenyl-pyrazolo[4,3-d]pyrimidin-7-yl]thio]acetic acid ethyl ester Formula: C21H24N4O3S MolecularWeight: 412.50526

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Descriptors Computed from Structure

Canonical SMILES:

CCC=CCCOC1=C2C(=NN1C3=CC=CC=C3)C(=NC=N2)SCC(=O)OCC

Isomeric SMILES

CC/C=C/CCOC1=C2C(=NN1C3=CC=CC=C3)C(=NC=N2)SCC(=O)OCC

InChI

InChI=1S/C21H24N4O3S/c1-3-5-6-10-13-28-21-19-18(24-25(21)16-11-8-7-9-12-16)20(23-15-22-19)29-14-17(26)27-4-2/h5-9,11-12,15H,3-4,10,13-14H2,1-2H3/b6-5+