ethyl 2-(3-hexadecan-2-yloxy-2-methyl-pyrazolo[4,3-d]pyrimidin-7-yl)sulfanylethanoate

Systemtic Name: ethyl 2-(3-hexadecan-2-yloxy-2-methyl-pyrazolo[4,3-d]pyrimidin-7-yl)sulfanylethanoate Openeye Name: ethyl 2-[2-methyl-3-(1-methylpentadecoxy)pyrazolo[4,3-d]pyrimidin-7-yl]sulfanylacetate CAS Name: 2-[(3-hexadecan-2-yloxy-2-methyl-7-pyrazolo[4,3-d]pyrimidinyl)thio]acetic acid ethyl ester IUPAC Name: ethyl 2-(3-hexadecan-2-yloxy-2-methylpyrazolo[4,3-d]pyrimidin-7-yl)sulfanylacetate Traditional Name: 2-[[2-methyl-3-(1-methylpentadecoxy)pyrazolo[4,3-d]pyrimidin-7-yl]thio]acetic acid ethyl ester Formula: C26H44N4O3S MolecularWeight: 492.71756

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC(C)OC1=C2C(=NN1C)C(=NC=N2)SCC(=O)OCC

Isomeric SMILES

CCCCCCCCCCCCCCC(C)OC1=C2C(=NN1C)C(=NC=N2)SCC(=O)OCC

InChI

InChI=1S/C26H44N4O3S/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-21(3)33-26-24-23(29-30(26)4)25(28-20-27-24)34-19-22(31)32-6-2/h20-21H,5-19H2,1-4H3