6-[[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]hexanoate

Systemtic Name: 6-[[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]hexanoate Openeye Name: 6-[[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]hexanoate CAS Name: 6-[[5-(4-chlorophenyl)-4-thieno[2,3-d]pyrimidinyl]amino]hexanoate IUPAC Name: 6-[[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]hexanoate Traditional Name: 6-[[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]hexanoate Formula: C18H17ClN3O2S- MolecularWeight: 374.86448

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CSC3=NC=NC(=C23)NCCCCCC(=O)[O-])Cl

Isomeric SMILES

C1=CC(=CC=C1C2=CSC3=NC=NC(=C23)NCCCCCC(=O)[O-])Cl

InChI

InChI=1S/C18H18ClN3O2S/c19-13-7-5-12(6-8-13)14-10-25-18-16(14)17(21-11-22-18)20-9-3-1-2-4-15(23)24/h5-8,10-11H,1-4,9H2,(H,23,24)(H,20,21,22)/p-1