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

Systemtic Name: ethyl 2-[3-[(4-methoxyphenyl)methoxy]-2-methyl-pyrazolo[4,3-d]pyrimidin-7-yl]sulfanylethanoate Openeye Name: ethyl 2-[3-[(4-methoxyphenyl)methoxy]-2-methyl-pyrazolo[4,3-d]pyrimidin-7-yl]sulfanylacetate CAS Name: 2-[[3-[(4-methoxyphenyl)methoxy]-2-methyl-7-pyrazolo[4,3-d]pyrimidinyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-[(4-methoxyphenyl)methoxy]-2-methylpyrazolo[4,3-d]pyrimidin-7-yl]sulfanylacetate Traditional Name: 2-[(2-methyl-3-p-anisyloxy-pyrazolo[4,3-d]pyrimidin-7-yl)thio]acetic acid ethyl ester Formula: C18H20N4O4S MolecularWeight: 388.4408

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C18H20N4O4S/c1-4-25-14(23)10-27-17-15-16(19-11-20-17)18(22(2)21-15)26-9-12-5-7-13(24-3)8-6-12/h5-8,11H,4,9-10H2,1-3H3