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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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