1-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-thieno[2,3-d]pyrimidin-4-yloxy-ethanone

Systemtic Name: 1-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-thieno[2,3-d]pyrimidin-4-yloxy-ethanone Openeye Name: 1-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-thieno[2,3-d]pyrimidin-4-yloxy-ethanone CAS Name: 1-(2,5-dimethyl-1-phenethyl-3-pyrrolyl)-2-(4-thieno[2,3-d]pyrimidinyloxy)ethanone IUPAC Name: 1-(2,5-dimethyl-1-phenethylpyrrol-3-yl)-2-thieno[2,3-d]pyrimidin-4-yloxyethanone Traditional Name: 1-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-thieno[2,3-d]pyrimidin-4-yloxy-ethanone Formula: C22H21N3O2S MolecularWeight: 391.48604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCC2=CC=CC=C2)C)C(=O)COC3=C4C=CSC4=NC=N3

Isomeric SMILES

CC1=CC(=C(N1CCC2=CC=CC=C2)C)C(=O)COC3=C4C=CSC4=NC=N3

InChI

InChI=1S/C22H21N3O2S/c1-15-12-19(16(2)25(15)10-8-17-6-4-3-5-7-17)20(26)13-27-21-18-9-11-28-22(18)24-14-23-21/h3-7,9,11-12,14H,8,10,13H2,1-2H3