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

Systemtic Name: ethyl 2-[7-(4-ethoxyphenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidin-4-yl]sulfanylethanoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C24H23N3O3S MolecularWeight: 433.52272

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H23N3O3S/c1-3-29-19-12-10-18(11-13-19)27-14-20(17-8-6-5-7-9-17)22-23(27)25-16-26-24(22)31-15-21(28)30-4-2/h5-14,16H,3-4,15H2,1-2H3