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

Systemtic Name: methyl 4-[[4-oxidanylidene-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-3-yl]methyl]benzoate Openeye Name: methyl 4-[[5-(4-isopropylphenyl)-4-oxo-thieno[2,3-d]pyrimidin-3-yl]methyl]benzoate CAS Name: 4-[[4-oxo-5-(4-propan-2-ylphenyl)-3-thieno[2,3-d]pyrimidinyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-oxo-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-3-yl]methyl]benzoate Traditional Name: 4-[(4-keto-5-p-cumenyl-thieno[2,3-d]pyrimidin-3-yl)methyl]benzoic acid methyl ester Formula: C24H22N2O3S MolecularWeight: 418.50808

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C=N3)CC4=CC=C(C=C4)C(=O)OC

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C=N3)CC4=CC=C(C=C4)C(=O)OC

InChI

InChI=1S/C24H22N2O3S/c1-15(2)17-8-10-18(11-9-17)20-13-30-22-21(20)23(27)26(14-25-22)12-16-4-6-19(7-5-16)24(28)29-3/h4-11,13-15H,12H2,1-3H3