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

Systemtic Name: methyl 2-(3-hexadecoxy-2-methyl-pyrazolo[4,3-d]pyrimidin-7-yl)sulfanylethanoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C25H42N4O3S MolecularWeight: 478.69098

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H42N4O3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-32-25-23-22(28-29(25)2)24(27-20-26-23)33-19-21(30)31-3/h20H,4-19H2,1-3H3