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

Systemtic Name: ethyl 2-(2-methyl-3-nonadecoxy-pyrazolo[4,3-d]pyrimidin-7-yl)sulfanylethanoate Openeye Name: ethyl 2-(2-methyl-3-nonadecoxy-pyrazolo[4,3-d]pyrimidin-7-yl)sulfanylacetate CAS Name: 2-[(2-methyl-3-nonadecoxy-7-pyrazolo[4,3-d]pyrimidinyl)thio]acetic acid ethyl ester IUPAC Name: ethyl 2-(2-methyl-3-nonadecoxypyrazolo[4,3-d]pyrimidin-7-yl)sulfanylacetate Traditional Name: 2-[(2-methyl-3-nonadecoxy-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:

CCCCCCCCCCCCCCCCCCCOC1=C2C(=NN1C)C(=NC=N2)SCC(=O)OCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCOC1=C2C(=NN1C)C(=NC=N2)SCC(=O)OCC

InChI

InChI=1S/C29H50N4O3S/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-36-29-27-26(32-33(29)3)28(31-24-30-27)37-23-25(34)35-5-2/h24H,4-23H2,1-3H3