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

Systemtic Name: (phenylmethyl) 2-[7-(4-ethoxyphenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidin-4-yl]sulfanylethanoate Openeye Name: benzyl 2-[7-(4-ethoxyphenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidin-4-yl]sulfanylacetate CAS Name: 2-[[7-(4-ethoxyphenyl)-5-phenyl-4-pyrrolo[2,3-d]pyrimidinyl]thio]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[7-(4-ethoxyphenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-yl]sulfanylacetate Traditional Name: 2-[(5-phenyl-7-p-phenetyl-pyrrolo[2,3-d]pyrimidin-4-yl)thio]acetic acid benzyl ester Formula: C29H25N3O3S MolecularWeight: 495.5921

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C=C(C3=C2N=CN=C3SCC(=O)OCC4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C=C(C3=C2N=CN=C3SCC(=O)OCC4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C29H25N3O3S/c1-2-34-24-15-13-23(14-16-24)32-17-25(22-11-7-4-8-12-22)27-28(32)30-20-31-29(27)36-19-26(33)35-18-21-9-5-3-6-10-21/h3-17,20H,2,18-19H2,1H3