ethyl 2-(3-icosoxy-2-methyl-pyrazolo[4,3-d]pyrimidin-7-yl)sulfanyl-2-methyl-propanoate

Systemtic Name: ethyl 2-(3-icosoxy-2-methyl-pyrazolo[4,3-d]pyrimidin-7-yl)sulfanyl-2-methyl-propanoate Openeye Name: ethyl 2-(3-icosoxy-2-methyl-pyrazolo[4,3-d]pyrimidin-7-yl)sulfanyl-2-methyl-propanoate CAS Name: 2-[(3-eicosoxy-2-methyl-7-pyrazolo[4,3-d]pyrimidinyl)thio]-2-methylpropanoic acid ethyl ester IUPAC Name: ethyl 2-(3-icosoxy-2-methylpyrazolo[4,3-d]pyrimidin-7-yl)sulfanyl-2-methylpropanoate Traditional Name: 2-[(3-arachyloxy-2-methyl-pyrazolo[4,3-d]pyrimidin-7-yl)thio]-2-methyl-propionic acid ethyl ester Formula: C32H56N4O3S MolecularWeight: 576.87704

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCOC1=C2C(=NN1C)C(=NC=N2)SC(C)(C)C(=O)OCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCOC1=C2C(=NN1C)C(=NC=N2)SC(C)(C)C(=O)OCC

InChI

InChI=1S/C32H56N4O3S/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-39-30-28-27(35-36(30)5)29(34-26-33-28)40-32(3,4)31(37)38-7-2/h26H,6-25H2,1-5H3