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

Systemtic Name: ethyl 2-[7-(4-ethoxyphenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidin-4-yl]sulfanyl-2-methyl-propanoate Openeye Name: ethyl 2-[7-(4-ethoxyphenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidin-4-yl]sulfanyl-2-methyl-propanoate CAS Name: 2-[[7-(4-ethoxyphenyl)-5-phenyl-4-pyrrolo[2,3-d]pyrimidinyl]thio]-2-methylpropanoic acid ethyl ester IUPAC Name: ethyl 2-[7-(4-ethoxyphenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-yl]sulfanyl-2-methylpropanoate Traditional Name: 2-methyl-2-[(5-phenyl-7-p-phenetyl-pyrrolo[2,3-d]pyrimidin-4-yl)thio]propionic acid ethyl ester Formula: C26H27N3O3S MolecularWeight: 461.57588

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C=C(C3=C2N=CN=C3SC(C)(C)C(=O)OCC)C4=CC=CC=C4

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C=C(C3=C2N=CN=C3SC(C)(C)C(=O)OCC)C4=CC=CC=C4

InChI

InChI=1S/C26H27N3O3S/c1-5-31-20-14-12-19(13-15-20)29-16-21(18-10-8-7-9-11-18)22-23(29)27-17-28-24(22)33-26(3,4)25(30)32-6-2/h7-17H,5-6H2,1-4H3