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

Systemtic Name: ethyl 4-[[5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]benzoate Openeye Name: ethyl 4-[[5-(4-isopropylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]benzoate CAS Name: 4-[[5-(4-propan-2-ylphenyl)-4-thieno[2,3-d]pyrimidinyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]benzoate Traditional Name: 4-[(5-p-cumenylthieno[2,3-d]pyrimidin-4-yl)amino]benzoic acid ethyl ester Formula: C24H23N3O2S MolecularWeight: 417.52332

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC2=C3C(=CSC3=NC=N2)C4=CC=C(C=C4)C(C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC2=C3C(=CSC3=NC=N2)C4=CC=C(C=C4)C(C)C

InChI

InChI=1S/C24H23N3O2S/c1-4-29-24(28)18-9-11-19(12-10-18)27-22-21-20(13-30-23(21)26-14-25-22)17-7-5-16(6-8-17)15(2)3/h5-15H,4H2,1-3H3,(H,25,26,27)