5,6-dimethyl-2-(phenacylsulfanylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 5,6-dimethyl-2-(phenacylsulfanylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 5,6-dimethyl-2-(phenacylsulfanylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 5,6-dimethyl-2-[(phenacylthio)methyl]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 5,6-dimethyl-2-(phenacylsulfanylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 5,6-dimethyl-2-[(phenacylthio)methyl]-3H-thieno[2,3-d]pyrimidin-4-one Formula: C17H16N2O2S2 MolecularWeight: 344.45114

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)CSCC(=O)C3=CC=CC=C3)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)CSCC(=O)C3=CC=CC=C3)C

InChI

InChI=1S/C17H16N2O2S2/c1-10-11(2)23-17-15(10)16(21)18-14(19-17)9-22-8-13(20)12-6-4-3-5-7-12/h3-7H,8-9H2,1-2H3,(H,18,19,21)