2-[7-(4-ethoxyphenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidin-4-yl]sulfanyl-1-phenyl-ethanone

Systemtic Name: 2-[7-(4-ethoxyphenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidin-4-yl]sulfanyl-1-phenyl-ethanone Openeye Name: 2-[7-(4-ethoxyphenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidin-4-yl]sulfanyl-1-phenyl-ethanone CAS Name: 2-[[7-(4-ethoxyphenyl)-5-phenyl-4-pyrrolo[2,3-d]pyrimidinyl]thio]-1-phenylethanone IUPAC Name: 2-[7-(4-ethoxyphenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-yl]sulfanyl-1-phenylethanone Traditional Name: 1-phenyl-2-[(5-phenyl-7-p-phenetyl-pyrrolo[2,3-d]pyrimidin-4-yl)thio]ethanone Formula: C28H23N3O2S MolecularWeight: 465.56612

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H23N3O2S/c1-2-33-23-15-13-22(14-16-23)31-17-24(20-9-5-3-6-10-20)26-27(31)29-19-30-28(26)34-18-25(32)21-11-7-4-8-12-21/h3-17,19H,2,18H2,1H3