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

Systemtic Name: ethyl 2-(3-hexadecoxy-2-phenyl-pyrazolo[4,3-d]pyrimidin-7-yl)sulfanylethanoate Openeye Name: ethyl 2-(3-hexadecoxy-2-phenyl-pyrazolo[4,3-d]pyrimidin-7-yl)sulfanylacetate CAS Name: 2-[(3-hexadecoxy-2-phenyl-7-pyrazolo[4,3-d]pyrimidinyl)thio]acetic acid ethyl ester IUPAC Name: ethyl 2-(3-hexadecoxy-2-phenylpyrazolo[4,3-d]pyrimidin-7-yl)sulfanylacetate Traditional Name: 2-[(3-cetyloxy-2-phenyl-pyrazolo[4,3-d]pyrimidin-7-yl)thio]acetic acid ethyl ester Formula: C31H46N4O3S MolecularWeight: 554.78694

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=C2C(=NN1C3=CC=CC=C3)C(=NC=N2)SCC(=O)OCC

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=C2C(=NN1C3=CC=CC=C3)C(=NC=N2)SCC(=O)OCC

InChI

InChI=1S/C31H46N4O3S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-20-23-38-31-29-28(34-35(31)26-21-18-17-19-22-26)30(33-25-32-29)39-24-27(36)37-4-2/h17-19,21-22,25H,3-16,20,23-24H2,1-2H3