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

Systemtic Name: 1-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanyl-ethanone Openeye Name: 1-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanyl-ethanone CAS Name: 1-(2,5-dimethyl-1-prop-2-enyl-3-pyrrolyl)-2-(4-thieno[3,2-d]pyrimidinylthio)ethanone IUPAC Name: 1-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylethanone Traditional Name: 1-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-(thieno[3,2-d]pyrimidin-4-ylthio)ethanone Formula: C17H17N3OS2 MolecularWeight: 343.46638

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC=C)C)C(=O)CSC2=NC=NC3=C2SC=C3

Isomeric SMILES

CC1=CC(=C(N1CC=C)C)C(=O)CSC2=NC=NC3=C2SC=C3

InChI

InChI=1S/C17H17N3OS2/c1-4-6-20-11(2)8-13(12(20)3)15(21)9-23-17-16-14(5-7-22-16)18-10-19-17/h4-5,7-8,10H,1,6,9H2,2-3H3