ethyl 2-[3-[(E)-octadec-9-enoxy]-2-phenyl-pyrazolo[4,3-d]pyrimidin-7-yl]sulfanylethanoate

Systemtic Name: ethyl 2-[3-[(E)-octadec-9-enoxy]-2-phenyl-pyrazolo[4,3-d]pyrimidin-7-yl]sulfanylethanoate Openeye Name: ethyl 2-[3-[(E)-octadec-9-enoxy]-2-phenyl-pyrazolo[4,3-d]pyrimidin-7-yl]sulfanylacetate CAS Name: 2-[[3-[(E)-octadec-9-enoxy]-2-phenyl-7-pyrazolo[4,3-d]pyrimidinyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-[(E)-octadec-9-enoxy]-2-phenylpyrazolo[4,3-d]pyrimidin-7-yl]sulfanylacetate Traditional Name: 2-[[3-[(E)-octadec-9-enoxy]-2-phenyl-pyrazolo[4,3-d]pyrimidin-7-yl]thio]acetic acid ethyl ester Formula: C33H48N4O3S MolecularWeight: 580.82422

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCOC1=C2C(=NN1C3=CC=CC=C3)C(=NC=N2)SCC(=O)OCC

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCCOC1=C2C(=NN1C3=CC=CC=C3)C(=NC=N2)SCC(=O)OCC

InChI

InChI=1S/C33H48N4O3S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-25-40-33-31-30(36-37(33)28-23-20-19-21-24-28)32(35-27-34-31)41-26-29(38)39-4-2/h11-12,19-21,23-24,27H,3-10,13-18,22,25-26H2,1-2H3/b12-11+