(phenylmethyl) 2-[7-(4-methoxyphenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidin-4-yl]sulfanylethanoate

Systemtic Name: (phenylmethyl) 2-[7-(4-methoxyphenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidin-4-yl]sulfanylethanoate Openeye Name: benzyl 2-[7-(4-methoxyphenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidin-4-yl]sulfanylacetate CAS Name: 2-[[7-(4-methoxyphenyl)-5-phenyl-4-pyrrolo[2,3-d]pyrimidinyl]thio]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[7-(4-methoxyphenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-yl]sulfanylacetate Traditional Name: 2-[[7-(4-methoxyphenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidin-4-yl]thio]acetic acid benzyl ester Formula: C28H23N3O3S MolecularWeight: 481.56552

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C=C(C3=C2N=CN=C3SCC(=O)OCC4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)N2C=C(C3=C2N=CN=C3SCC(=O)OCC4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H23N3O3S/c1-33-23-14-12-22(13-15-23)31-16-24(21-10-6-3-7-11-21)26-27(31)29-19-30-28(26)35-18-25(32)34-17-20-8-4-2-5-9-20/h2-16,19H,17-18H2,1H3