ethyl 2-[7-(4-methoxyphenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidin-4-yl]sulfanyl-2-methyl-propanoate

Systemtic Name: ethyl 2-[7-(4-methoxyphenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidin-4-yl]sulfanyl-2-methyl-propanoate Openeye Name: ethyl 2-[7-(4-methoxyphenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidin-4-yl]sulfanyl-2-methyl-propanoate CAS Name: 2-[[7-(4-methoxyphenyl)-5-phenyl-4-pyrrolo[2,3-d]pyrimidinyl]thio]-2-methylpropanoic acid ethyl ester IUPAC Name: ethyl 2-[7-(4-methoxyphenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-yl]sulfanyl-2-methylpropanoate Traditional Name: 2-[[7-(4-methoxyphenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidin-4-yl]thio]-2-methyl-propionic acid ethyl ester Formula: C25H25N3O3S MolecularWeight: 447.5493

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)(C)SC1=NC=NC2=C1C(=CN2C3=CC=C(C=C3)OC)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C(C)(C)SC1=NC=NC2=C1C(=CN2C3=CC=C(C=C3)OC)C4=CC=CC=C4

InChI

InChI=1S/C25H25N3O3S/c1-5-31-24(29)25(2,3)32-23-21-20(17-9-7-6-8-10-17)15-28(22(21)26-16-27-23)18-11-13-19(30-4)14-12-18/h6-16H,5H2,1-4H3