ethyl 2-(2-tert-butyl-3-dodecoxy-pyrazolo[4,3-d]pyrimidin-7-yl)sulfanylethanoate

Systemtic Name: ethyl 2-(2-tert-butyl-3-dodecoxy-pyrazolo[4,3-d]pyrimidin-7-yl)sulfanylethanoate Openeye Name: ethyl 2-(2-tert-butyl-3-dodecoxy-pyrazolo[4,3-d]pyrimidin-7-yl)sulfanylacetate CAS Name: 2-[(2-tert-butyl-3-dodecoxy-7-pyrazolo[4,3-d]pyrimidinyl)thio]acetic acid ethyl ester IUPAC Name: ethyl 2-(2-tert-butyl-3-dodecoxypyrazolo[4,3-d]pyrimidin-7-yl)sulfanylacetate Traditional Name: 2-[(2-tert-butyl-3-lauryloxy-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:

CCCCCCCCCCCCOC1=C2C(=NN1C(C)(C)C)C(=NC=N2)SCC(=O)OCC

Isomeric SMILES

CCCCCCCCCCCCOC1=C2C(=NN1C(C)(C)C)C(=NC=N2)SCC(=O)OCC

InChI

InChI=1S/C25H42N4O3S/c1-6-8-9-10-11-12-13-14-15-16-17-32-24-22-21(28-29(24)25(3,4)5)23(27-19-26-22)33-18-20(30)31-7-2/h19H,6-18H2,1-5H3