ethyl 3-[[4-oxidanylidene-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-3-yl]methyl]benzoate

Systemtic Name: ethyl 3-[[4-oxidanylidene-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-3-yl]methyl]benzoate Openeye Name: ethyl 3-[[5-(4-isopropylphenyl)-4-oxo-thieno[2,3-d]pyrimidin-3-yl]methyl]benzoate CAS Name: 3-[[4-oxo-5-(4-propan-2-ylphenyl)-3-thieno[2,3-d]pyrimidinyl]methyl]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[4-oxo-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-3-yl]methyl]benzoate Traditional Name: 3-[(4-keto-5-p-cumenyl-thieno[2,3-d]pyrimidin-3-yl)methyl]benzoic acid ethyl ester Formula: C25H24N2O3S MolecularWeight: 432.53466

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)CN2C=NC3=C(C2=O)C(=CS3)C4=CC=C(C=C4)C(C)C

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)CN2C=NC3=C(C2=O)C(=CS3)C4=CC=C(C=C4)C(C)C

InChI

InChI=1S/C25H24N2O3S/c1-4-30-25(29)20-7-5-6-17(12-20)13-27-15-26-23-22(24(27)28)21(14-31-23)19-10-8-18(9-11-19)16(2)3/h5-12,14-16H,4,13H2,1-3H3