ethyl 2-[2-methyl-3-[(E)-octadec-11-enoxy]pyrazolo[4,3-d]pyrimidin-7-yl]sulfanylethanoate

Systemtic Name: ethyl 2-[2-methyl-3-[(E)-octadec-11-enoxy]pyrazolo[4,3-d]pyrimidin-7-yl]sulfanylethanoate Openeye Name: ethyl 2-[2-methyl-3-[(E)-octadec-11-enoxy]pyrazolo[4,3-d]pyrimidin-7-yl]sulfanylacetate CAS Name: 2-[[2-methyl-3-[(E)-octadec-11-enoxy]-7-pyrazolo[4,3-d]pyrimidinyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-methyl-3-[(E)-octadec-11-enoxy]pyrazolo[4,3-d]pyrimidin-7-yl]sulfanylacetate Traditional Name: 2-[[2-methyl-3-[(E)-octadec-11-enoxy]pyrazolo[4,3-d]pyrimidin-7-yl]thio]acetic acid ethyl ester Formula: C28H46N4O3S MolecularWeight: 518.75484

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC=CCCCCCCCCCCOC1=C2C(=NN1C)C(=NC=N2)SCC(=O)OCC

Isomeric SMILES

CCCCCC/C=C/CCCCCCCCCCOC1=C2C(=NN1C)C(=NC=N2)SCC(=O)OCC

InChI

InChI=1S/C28H46N4O3S/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/h10-11,23H,4-9,12-22H2,1-3H3/b11-10+