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

Systemtic Name: 1-[2,5-dimethyl-1-(3-methylbutyl)pyrrol-3-yl]-2-thieno[3,2-d]pyrimidin-4-ylsulfanyl-ethanone Openeye Name: 1-(1-isopentyl-2,5-dimethyl-pyrrol-3-yl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanyl-ethanone CAS Name: 1-[2,5-dimethyl-1-(3-methylbutyl)-3-pyrrolyl]-2-(4-thieno[3,2-d]pyrimidinylthio)ethanone IUPAC Name: 1-[2,5-dimethyl-1-(3-methylbutyl)pyrrol-3-yl]-2-thieno[3,2-d]pyrimidin-4-ylsulfanylethanone Traditional Name: 1-(1-isoamyl-2,5-dimethyl-pyrrol-3-yl)-2-(thieno[3,2-d]pyrimidin-4-ylthio)ethanone Formula: C19H23N3OS2 MolecularWeight: 373.53542

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCC(C)C)C)C(=O)CSC2=NC=NC3=C2SC=C3

Isomeric SMILES

CC1=CC(=C(N1CCC(C)C)C)C(=O)CSC2=NC=NC3=C2SC=C3

InChI

InChI=1S/C19H23N3OS2/c1-12(2)5-7-22-13(3)9-15(14(22)4)17(23)10-25-19-18-16(6-8-24-18)20-11-21-19/h6,8-9,11-12H,5,7,10H2,1-4H3