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

Systemtic Name: ethyl 4-[[5-(4-ethoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]benzoate Openeye Name: ethyl 4-[[5-(4-ethoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]benzoate CAS Name: 4-[[5-(4-ethoxyphenyl)-4-thieno[2,3-d]pyrimidinyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[5-(4-ethoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]benzoate Traditional Name: 4-[(5-p-phenetylthieno[2,3-d]pyrimidin-4-yl)amino]benzoic acid ethyl ester Formula: C23H21N3O3S MolecularWeight: 419.49614

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=CSC3=NC=NC(=C23)NC4=CC=C(C=C4)C(=O)OCC

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=CSC3=NC=NC(=C23)NC4=CC=C(C=C4)C(=O)OCC

InChI

InChI=1S/C23H21N3O3S/c1-3-28-18-11-7-15(8-12-18)19-13-30-22-20(19)21(24-14-25-22)26-17-9-5-16(6-10-17)23(27)29-4-2/h5-14H,3-4H2,1-2H3,(H,24,25,26)