ethyl 2-[3-[(E)-docos-13-enoxy]-2-methyl-pyrazolo[4,3-d]pyrimidin-7-yl]sulfanylethanoate

Systemtic Name: ethyl 2-[3-[(E)-docos-13-enoxy]-2-methyl-pyrazolo[4,3-d]pyrimidin-7-yl]sulfanylethanoate Openeye Name: ethyl 2-[3-[(E)-docos-13-enoxy]-2-methyl-pyrazolo[4,3-d]pyrimidin-7-yl]sulfanylacetate CAS Name: 2-[[3-[(E)-docos-13-enoxy]-2-methyl-7-pyrazolo[4,3-d]pyrimidinyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-[(E)-docos-13-enoxy]-2-methylpyrazolo[4,3-d]pyrimidin-7-yl]sulfanylacetate Traditional Name: 2-[[3-[(E)-docos-13-enoxy]-2-methyl-pyrazolo[4,3-d]pyrimidin-7-yl]thio]acetic acid ethyl ester Formula: C32H54N4O3S MolecularWeight: 574.86116

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCCCCCOC1=C2C(=NN1C)C(=NC=N2)SCC(=O)OCC

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCCCCCCOC1=C2C(=NN1C)C(=NC=N2)SCC(=O)OCC

InChI

InChI=1S/C32H54N4O3S/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-39-32-30-29(35-36(32)3)31(34-27-33-30)40-26-28(37)38-5-2/h12-13,27H,4-11,14-26H2,1-3H3/b13-12+