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

Systemtic Name: 5,6-dimethyl-2-(2-oxidanylidenepropylsulfanyl)-3-(phenylmethyl)thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-acetonylsulfanyl-3-benzyl-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 5,6-dimethyl-2-(2-oxopropylthio)-3-(phenylmethyl)-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-benzyl-5,6-dimethyl-2-(2-oxopropylsulfanyl)thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-(acetonylthio)-3-benzyl-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-one Formula: C18H18N2O2S2 MolecularWeight: 358.47772

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C(=N2)SCC(=O)C)CC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C(=N2)SCC(=O)C)CC3=CC=CC=C3)C

InChI

InChI=1S/C18H18N2O2S2/c1-11(21)10-23-18-19-16-15(12(2)13(3)24-16)17(22)20(18)9-14-7-5-4-6-8-14/h4-8H,9-10H2,1-3H3