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

Systemtic Name: ethyl 2-[2-methyl-3-[(4-phenylmethoxyphenyl)methoxy]pyrazolo[4,3-d]pyrimidin-7-yl]sulfanylethanoate Openeye Name: ethyl 2-[3-[(4-benzyloxyphenyl)methoxy]-2-methyl-pyrazolo[4,3-d]pyrimidin-7-yl]sulfanylacetate CAS Name: 2-[[2-methyl-3-[(4-phenylmethoxyphenyl)methoxy]-7-pyrazolo[4,3-d]pyrimidinyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-methyl-3-[(4-phenylmethoxyphenyl)methoxy]pyrazolo[4,3-d]pyrimidin-7-yl]sulfanylacetate Traditional Name: 2-[[3-(4-benzoxybenzyl)oxy-2-methyl-pyrazolo[4,3-d]pyrimidin-7-yl]thio]acetic acid ethyl ester Formula: C24H24N4O4S MolecularWeight: 464.53676

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC=NC2=C(N(N=C21)C)OCC3=CC=C(C=C3)OCC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)CSC1=NC=NC2=C(N(N=C21)C)OCC3=CC=C(C=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C24H24N4O4S/c1-3-30-20(29)15-33-23-21-22(25-16-26-23)24(28(2)27-21)32-14-18-9-11-19(12-10-18)31-13-17-7-5-4-6-8-17/h4-12,16H,3,13-15H2,1-2H3