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

Systemtic Name: ethyl 2-[2-methyl-3-(2-phenylmethoxyethoxy)pyrazolo[4,3-d]pyrimidin-7-yl]sulfanylethanoate Openeye Name: ethyl 2-[3-(2-benzyloxyethoxy)-2-methyl-pyrazolo[4,3-d]pyrimidin-7-yl]sulfanylacetate CAS Name: 2-[[2-methyl-3-(2-phenylmethoxyethoxy)-7-pyrazolo[4,3-d]pyrimidinyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-methyl-3-(2-phenylmethoxyethoxy)pyrazolo[4,3-d]pyrimidin-7-yl]sulfanylacetate Traditional Name: 2-[[3-(2-benzoxyethoxy)-2-methyl-pyrazolo[4,3-d]pyrimidin-7-yl]thio]acetic acid ethyl ester Formula: C19H22N4O4S MolecularWeight: 402.46738

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC=NC2=C(N(N=C21)C)OCCOCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CSC1=NC=NC2=C(N(N=C21)C)OCCOCC3=CC=CC=C3

InChI

InChI=1S/C19H22N4O4S/c1-3-26-15(24)12-28-18-16-17(20-13-21-18)19(23(2)22-16)27-10-9-25-11-14-7-5-4-6-8-14/h4-8,13H,3,9-12H2,1-2H3