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

Systemtic Name: ethyl 2-(3-heptoxy-2-phenyl-pyrazolo[4,3-d]pyrimidin-7-yl)sulfanylethanoate Openeye Name: ethyl 2-(3-heptoxy-2-phenyl-pyrazolo[4,3-d]pyrimidin-7-yl)sulfanylacetate CAS Name: 2-[(3-heptoxy-2-phenyl-7-pyrazolo[4,3-d]pyrimidinyl)thio]acetic acid ethyl ester IUPAC Name: ethyl 2-(3-heptoxy-2-phenylpyrazolo[4,3-d]pyrimidin-7-yl)sulfanylacetate Traditional Name: 2-[(3-heptoxy-2-phenyl-pyrazolo[4,3-d]pyrimidin-7-yl)thio]acetic acid ethyl ester Formula: C22H28N4O3S MolecularWeight: 428.54772

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=C2C(=NN1C3=CC=CC=C3)C(=NC=N2)SCC(=O)OCC

Isomeric SMILES

CCCCCCCOC1=C2C(=NN1C3=CC=CC=C3)C(=NC=N2)SCC(=O)OCC

InChI

InChI=1S/C22H28N4O3S/c1-3-5-6-7-11-14-29-22-20-19(25-26(22)17-12-9-8-10-13-17)21(24-16-23-20)30-15-18(27)28-4-2/h8-10,12-13,16H,3-7,11,14-15H2,1-2H3