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

Systemtic Name: ethyl 2-(3-hexadecoxy-2-methyl-pyrazolo[4,3-d]pyrimidin-7-yl)sulfanylethanoate Openeye Name: ethyl 2-(3-hexadecoxy-2-methyl-pyrazolo[4,3-d]pyrimidin-7-yl)sulfanylacetate CAS Name: 2-[(3-hexadecoxy-2-methyl-7-pyrazolo[4,3-d]pyrimidinyl)thio]acetic acid ethyl ester IUPAC Name: ethyl 2-(3-hexadecoxy-2-methylpyrazolo[4,3-d]pyrimidin-7-yl)sulfanylacetate Traditional Name: 2-[(3-cetyloxy-2-methyl-pyrazolo[4,3-d]pyrimidin-7-yl)thio]acetic acid ethyl ester Formula: C26H44N4O3S MolecularWeight: 492.71756

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H44N4O3S/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-33-26-24-23(29-30(26)3)25(28-21-27-24)34-20-22(31)32-5-2/h21H,4-20H2,1-3H3