[4-[7-(4-methoxyphenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl]-thiophen-2-yl-methanone

Systemtic Name: [4-[7-(4-methoxyphenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl]-thiophen-2-yl-methanone Openeye Name: [4-[7-(4-methoxyphenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl]-(2-thienyl)methanone CAS Name: [4-[7-(4-methoxyphenyl)-5-phenyl-4-pyrrolo[2,3-d]pyrimidinyl]-1-piperazinyl]-thiophen-2-ylmethanone IUPAC Name: [4-[7-(4-methoxyphenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl]-thiophen-2-ylmethanone Traditional Name: [4-[7-(4-methoxyphenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidin-4-yl]piperazino]-(2-thienyl)methanone Formula: C28H25N5O2S MolecularWeight: 495.5954

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C=C(C3=C2N=CN=C3N4CCN(CC4)C(=O)C5=CC=CS5)C6=CC=CC=C6

Isomeric SMILES

COC1=CC=C(C=C1)N2C=C(C3=C2N=CN=C3N4CCN(CC4)C(=O)C5=CC=CS5)C6=CC=CC=C6

InChI

InChI=1S/C28H25N5O2S/c1-35-22-11-9-21(10-12-22)33-18-23(20-6-3-2-4-7-20)25-26(29-19-30-27(25)33)31-13-15-32(16-14-31)28(34)24-8-5-17-36-24/h2-12,17-19H,13-16H2,1H3