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

Systemtic Name: ethyl 2-[7-(3-methylphenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidin-4-yl]sulfanylethanoate Openeye Name: ethyl 2-[7-(m-tolyl)-5-phenyl-pyrrolo[2,3-d]pyrimidin-4-yl]sulfanylacetate CAS Name: 2-[[7-(3-methylphenyl)-5-phenyl-4-pyrrolo[2,3-d]pyrimidinyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[7-(3-methylphenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-yl]sulfanylacetate Traditional Name: 2-[[7-(m-tolyl)-5-phenyl-pyrrolo[2,3-d]pyrimidin-4-yl]thio]acetic acid ethyl ester Formula: C23H21N3O2S MolecularWeight: 403.49674

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC=NC2=C1C(=CN2C3=CC=CC(=C3)C)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)CSC1=NC=NC2=C1C(=CN2C3=CC=CC(=C3)C)C4=CC=CC=C4

InChI

InChI=1S/C23H21N3O2S/c1-3-28-20(27)14-29-23-21-19(17-9-5-4-6-10-17)13-26(22(21)24-15-25-23)18-11-7-8-16(2)12-18/h4-13,15H,3,14H2,1-2H3