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

Systemtic Name: ethyl 2-(2-methyl-3-octoxy-pyrazolo[4,3-d]pyrimidin-7-yl)sulfanylethanoate Openeye Name: ethyl 2-(2-methyl-3-octoxy-pyrazolo[4,3-d]pyrimidin-7-yl)sulfanylacetate CAS Name: 2-[(2-methyl-3-octoxy-7-pyrazolo[4,3-d]pyrimidinyl)thio]acetic acid ethyl ester IUPAC Name: ethyl 2-(2-methyl-3-octoxypyrazolo[4,3-d]pyrimidin-7-yl)sulfanylacetate Traditional Name: 2-[(2-methyl-3-octoxy-pyrazolo[4,3-d]pyrimidin-7-yl)thio]acetic acid ethyl ester Formula: C18H28N4O3S MolecularWeight: 380.50492

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28N4O3S/c1-4-6-7-8-9-10-11-25-18-16-15(21-22(18)3)17(20-13-19-16)26-12-14(23)24-5-2/h13H,4-12H2,1-3H3