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

Systemtic Name: 2-[7-(4-methoxyphenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidin-4-yl]sulfanyl-1-phenyl-ethanone Openeye Name: 2-[7-(4-methoxyphenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidin-4-yl]sulfanyl-1-phenyl-ethanone CAS Name: 2-[[7-(4-methoxyphenyl)-5-phenyl-4-pyrrolo[2,3-d]pyrimidinyl]thio]-1-phenylethanone IUPAC Name: 2-[7-(4-methoxyphenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-yl]sulfanyl-1-phenylethanone Traditional Name: 2-[[7-(4-methoxyphenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidin-4-yl]thio]-1-phenyl-ethanone Formula: C27H21N3O2S MolecularWeight: 451.53954

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C=C(C3=C2N=CN=C3SCC(=O)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)N2C=C(C3=C2N=CN=C3SCC(=O)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H21N3O2S/c1-32-22-14-12-21(13-15-22)30-16-23(19-8-4-2-5-9-19)25-26(30)28-18-29-27(25)33-17-24(31)20-10-6-3-7-11-20/h2-16,18H,17H2,1H3