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

Systemtic Name: methyl 4-[[5-(4-ethylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]benzoate Openeye Name: methyl 4-[[5-(4-ethylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]benzoate CAS Name: 4-[[5-(4-ethylphenyl)-4-thieno[2,3-d]pyrimidinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[5-(4-ethylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]benzoate Traditional Name: 4-[[5-(4-ethylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]benzoic acid methyl ester Formula: C22H19N3O2S MolecularWeight: 389.47016

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=CSC3=NC=NC(=C23)NC4=CC=C(C=C4)C(=O)OC

Isomeric SMILES

CCC1=CC=C(C=C1)C2=CSC3=NC=NC(=C23)NC4=CC=C(C=C4)C(=O)OC

InChI

InChI=1S/C22H19N3O2S/c1-3-14-4-6-15(7-5-14)18-12-28-21-19(18)20(23-13-24-21)25-17-10-8-16(9-11-17)22(26)27-2/h4-13H,3H2,1-2H3,(H,23,24,25)