(phenylmethyl) 2-[[3-(4-methoxyphenyl)-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl]sulfanyl]ethanoate

Systemtic Name: (phenylmethyl) 2-[[3-(4-methoxyphenyl)-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl]sulfanyl]ethanoate Openeye Name: benzyl 2-[3-(4-methoxyphenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanylacetate CAS Name: 2-[[3-(4-methoxyphenyl)-7-triazolo[4,5-d]pyrimidinyl]thio]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[3-(4-methoxyphenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanylacetate Traditional Name: 2-[[3-(4-methoxyphenyl)triazolo[4,5-d]pyrimidin-7-yl]thio]acetic acid benzyl ester Formula: C20H17N5O3S MolecularWeight: 407.44568

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C3=C(C(=NC=N3)SCC(=O)OCC4=CC=CC=C4)N=N2

Isomeric SMILES

COC1=CC=C(C=C1)N2C3=C(C(=NC=N3)SCC(=O)OCC4=CC=CC=C4)N=N2

InChI

InChI=1S/C20H17N5O3S/c1-27-16-9-7-15(8-10-16)25-19-18(23-24-25)20(22-13-21-19)29-12-17(26)28-11-14-5-3-2-4-6-14/h2-10,13H,11-12H2,1H3