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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=O)C3=C(N=C2SCC(=O)C)SC(=C3C)C

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=O)C3=C(N=C2SCC(=O)C)SC(=C3C)C

InChI

InChI=1S/C18H18N2O2S2/c1-10-6-5-7-14(8-10)20-17(22)15-12(3)13(4)24-16(15)19-18(20)23-9-11(2)21/h5-8H,9H2,1-4H3