ethyl 2-(2-methyl-3-octadec-9-ynoxy-pyrazolo[4,3-d]pyrimidin-7-yl)sulfanylethanoate

Systemtic Name: ethyl 2-(2-methyl-3-octadec-9-ynoxy-pyrazolo[4,3-d]pyrimidin-7-yl)sulfanylethanoate Openeye Name: ethyl 2-(2-methyl-3-octadec-9-ynoxy-pyrazolo[4,3-d]pyrimidin-7-yl)sulfanylacetate CAS Name: 2-[(2-methyl-3-octadec-9-ynoxy-7-pyrazolo[4,3-d]pyrimidinyl)thio]acetic acid ethyl ester IUPAC Name: ethyl 2-(2-methyl-3-octadec-9-ynoxypyrazolo[4,3-d]pyrimidin-7-yl)sulfanylacetate Traditional Name: 2-[(2-methyl-3-octadec-9-ynoxy-pyrazolo[4,3-d]pyrimidin-7-yl)thio]acetic acid ethyl ester Formula: C28H44N4O3S MolecularWeight: 516.73896

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC#CCCCCCCCCOC1=C2C(=NN1C)C(=NC=N2)SCC(=O)OCC

Isomeric SMILES

CCCCCCCCC#CCCCCCCCCOC1=C2C(=NN1C)C(=NC=N2)SCC(=O)OCC

InChI

InChI=1S/C28H44N4O3S/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-35-28-26-25(31-32(28)3)27(30-23-29-26)36-22-24(33)34-5-2/h23H,4-11,14-22H2,1-3H3