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

Systemtic Name: 1-(2,5-dimethyl-1-propan-2-yl-pyrrol-3-yl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanyl-ethanone Openeye Name: 1-(1-isopropyl-2,5-dimethyl-pyrrol-3-yl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanyl-ethanone CAS Name: 1-(2,5-dimethyl-1-propan-2-yl-3-pyrrolyl)-2-(4-thieno[2,3-d]pyrimidinylthio)ethanone IUPAC Name: 1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanone Traditional Name: 1-(1-isopropyl-2,5-dimethyl-pyrrol-3-yl)-2-(thieno[2,3-d]pyrimidin-4-ylthio)ethanone Formula: C17H19N3OS2 MolecularWeight: 345.48226

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C(C)C)C)C(=O)CSC2=NC=NC3=C2C=CS3

Isomeric SMILES

CC1=CC(=C(N1C(C)C)C)C(=O)CSC2=NC=NC3=C2C=CS3

InChI

InChI=1S/C17H19N3OS2/c1-10(2)20-11(3)7-14(12(20)4)15(21)8-23-17-13-5-6-22-16(13)18-9-19-17/h5-7,9-10H,8H2,1-4H3