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

Systemtic Name: ethyl 2-methyl-2-(2-methyl-3-octoxy-pyrazolo[4,3-d]pyrimidin-7-yl)sulfanyl-propanoate Openeye Name: ethyl 2-methyl-2-(2-methyl-3-octoxy-pyrazolo[4,3-d]pyrimidin-7-yl)sulfanyl-propanoate CAS Name: 2-methyl-2-[(2-methyl-3-octoxy-7-pyrazolo[4,3-d]pyrimidinyl)thio]propanoic acid ethyl ester IUPAC Name: ethyl 2-methyl-2-(2-methyl-3-octoxypyrazolo[4,3-d]pyrimidin-7-yl)sulfanylpropanoate Traditional Name: 2-methyl-2-[(2-methyl-3-octoxy-pyrazolo[4,3-d]pyrimidin-7-yl)thio]propionic acid ethyl ester Formula: C20H32N4O3S MolecularWeight: 408.55808

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C2C(=NN1C)C(=NC=N2)SC(C)(C)C(=O)OCC

Isomeric SMILES

CCCCCCCCOC1=C2C(=NN1C)C(=NC=N2)SC(C)(C)C(=O)OCC

InChI

InChI=1S/C20H32N4O3S/c1-6-8-9-10-11-12-13-27-18-16-15(23-24(18)5)17(22-14-21-16)28-20(3,4)19(25)26-7-2/h14H,6-13H2,1-5H3