5-(3,4-dimethylphenyl)-3-(3-oxidanylidenebutan-2-yl)thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 5-(3,4-dimethylphenyl)-3-(3-oxidanylidenebutan-2-yl)thieno[2,3-d]pyrimidin-4-one Openeye Name: 5-(3,4-dimethylphenyl)-3-(1-methyl-2-oxo-propyl)thieno[2,3-d]pyrimidin-4-one CAS Name: 5-(3,4-dimethylphenyl)-3-(3-oxobutan-2-yl)-4-thieno[2,3-d]pyrimidinone IUPAC Name: 5-(3,4-dimethylphenyl)-3-(3-oxobutan-2-yl)thieno[2,3-d]pyrimidin-4-one Traditional Name: 5-(3,4-dimethylphenyl)-3-(2-keto-1-methyl-propyl)thieno[2,3-d]pyrimidin-4-one Formula: C18H18N2O2S MolecularWeight: 326.41272

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=CSC3=C2C(=O)N(C=N3)C(C)C(=O)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CSC3=C2C(=O)N(C=N3)C(C)C(=O)C)C

InChI

InChI=1S/C18H18N2O2S/c1-10-5-6-14(7-11(10)2)15-8-23-17-16(15)18(22)20(9-19-17)12(3)13(4)21/h5-9,12H,1-4H3