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

Systemtic Name: 1-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanyl-ethanone Openeye Name: 1-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanyl-ethanone CAS Name: 1-(2,5-dimethyl-1-phenethyl-3-pyrrolyl)-2-(4-thieno[2,3-d]pyrimidinylthio)ethanone IUPAC Name: 1-(2,5-dimethyl-1-phenethylpyrrol-3-yl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanone Traditional Name: 1-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-(thieno[2,3-d]pyrimidin-4-ylthio)ethanone Formula: C22H21N3OS2 MolecularWeight: 407.55164

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCC2=CC=CC=C2)C)C(=O)CSC3=NC=NC4=C3C=CS4

Isomeric SMILES

CC1=CC(=C(N1CCC2=CC=CC=C2)C)C(=O)CSC3=NC=NC4=C3C=CS4

InChI

InChI=1S/C22H21N3OS2/c1-15-12-19(16(2)25(15)10-8-17-6-4-3-5-7-17)20(26)13-28-22-18-9-11-27-21(18)23-14-24-22/h3-7,9,11-12,14H,8,10,13H2,1-2H3