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

Systemtic Name: ethyl 2-(2-methyl-3-pentadecoxy-pyrazolo[4,3-d]pyrimidin-7-yl)sulfanylethanoate Openeye Name: ethyl 2-(2-methyl-3-pentadecoxy-pyrazolo[4,3-d]pyrimidin-7-yl)sulfanylacetate CAS Name: 2-[(2-methyl-3-pentadecoxy-7-pyrazolo[4,3-d]pyrimidinyl)thio]acetic acid ethyl ester IUPAC Name: ethyl 2-(2-methyl-3-pentadecoxypyrazolo[4,3-d]pyrimidin-7-yl)sulfanylacetate Traditional Name: 2-[(2-methyl-3-pentadecoxy-pyrazolo[4,3-d]pyrimidin-7-yl)thio]acetic acid ethyl ester Formula: C25H42N4O3S MolecularWeight: 478.69098

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCOC1=C2C(=NN1C)C(=NC=N2)SCC(=O)OCC

Isomeric SMILES

CCCCCCCCCCCCCCCOC1=C2C(=NN1C)C(=NC=N2)SCC(=O)OCC

InChI

InChI=1S/C25H42N4O3S/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-32-25-23-22(28-29(25)3)24(27-20-26-23)33-19-21(30)31-5-2/h20H,4-19H2,1-3H3