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

Systemtic Name: 4-[[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]butanoate Openeye Name: 4-[[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]butanoate CAS Name: 4-[[5-(4-chlorophenyl)-4-thieno[2,3-d]pyrimidinyl]amino]butanoate IUPAC Name: 4-[[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]butanoate Traditional Name: 4-[[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]butyrate Formula: C16H13ClN3O2S- MolecularWeight: 346.81132

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14ClN3O2S/c17-11-5-3-10(4-6-11)12-8-23-16-14(12)15(19-9-20-16)18-7-1-2-13(21)22/h3-6,8-9H,1-2,7H2,(H,21,22)(H,18,19,20)/p-1