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

Systemtic Name: 2-chloranyl-5-[[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]benzoate Openeye Name: 2-chloro-5-[[5-(p-tolyl)thieno[2,3-d]pyrimidin-4-yl]amino]benzoate CAS Name: 2-chloro-5-[[5-(4-methylphenyl)-4-thieno[2,3-d]pyrimidinyl]amino]benzoate IUPAC Name: 2-chloro-5-[[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]benzoate Traditional Name: 2-chloro-5-[[5-(p-tolyl)thieno[2,3-d]pyrimidin-4-yl]amino]benzoate Formula: C20H13ClN3O2S- MolecularWeight: 394.85412

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC3=NC=NC(=C23)NC4=CC(=C(C=C4)Cl)C(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC3=NC=NC(=C23)NC4=CC(=C(C=C4)Cl)C(=O)[O-]

InChI

InChI=1S/C20H14ClN3O2S/c1-11-2-4-12(5-3-11)15-9-27-19-17(15)18(22-10-23-19)24-13-6-7-16(21)14(8-13)20(25)26/h2-10H,1H3,(H,25,26)(H,22,23,24)/p-1