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

Systemtic Name: ethyl 2-(3-dodecoxy-2-methyl-pyrazolo[4,3-d]pyrimidin-7-yl)sulfanylethanoate Openeye Name: ethyl 2-(3-dodecoxy-2-methyl-pyrazolo[4,3-d]pyrimidin-7-yl)sulfanylacetate CAS Name: 2-[(3-dodecoxy-2-methyl-7-pyrazolo[4,3-d]pyrimidinyl)thio]acetic acid ethyl ester IUPAC Name: ethyl 2-(3-dodecoxy-2-methylpyrazolo[4,3-d]pyrimidin-7-yl)sulfanylacetate Traditional Name: 2-[(3-lauryloxy-2-methyl-pyrazolo[4,3-d]pyrimidin-7-yl)thio]acetic acid ethyl ester Formula: C22H36N4O3S MolecularWeight: 436.61124

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H36N4O3S/c1-4-6-7-8-9-10-11-12-13-14-15-29-22-20-19(25-26(22)3)21(24-17-23-20)30-16-18(27)28-5-2/h17H,4-16H2,1-3H3