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

Systemtic Name: ethyl 2-(2-tert-butyl-3-hexadecoxy-pyrazolo[4,3-d]pyrimidin-7-yl)sulfanylethanoate Openeye Name: ethyl 2-(2-tert-butyl-3-hexadecoxy-pyrazolo[4,3-d]pyrimidin-7-yl)sulfanylacetate CAS Name: 2-[(2-tert-butyl-3-hexadecoxy-7-pyrazolo[4,3-d]pyrimidinyl)thio]acetic acid ethyl ester IUPAC Name: ethyl 2-(2-tert-butyl-3-hexadecoxypyrazolo[4,3-d]pyrimidin-7-yl)sulfanylacetate Traditional Name: 2-[(2-tert-butyl-3-cetyloxy-pyrazolo[4,3-d]pyrimidin-7-yl)thio]acetic acid ethyl ester Formula: C29H50N4O3S MolecularWeight: 534.7973

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=C2C(=NN1C(C)(C)C)C(=NC=N2)SCC(=O)OCC

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=C2C(=NN1C(C)(C)C)C(=NC=N2)SCC(=O)OCC

InChI

InChI=1S/C29H50N4O3S/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-36-28-26-25(32-33(28)29(3,4)5)27(31-23-30-26)37-22-24(34)35-7-2/h23H,6-22H2,1-5H3