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

Systemtic Name: 3-[(2-methyl-5-phenyl-thieno[2,3-d]pyrimidin-4-yl)amino]benzoate Openeye Name: 3-[(2-methyl-5-phenyl-thieno[2,3-d]pyrimidin-4-yl)amino]benzoate CAS Name: 3-[(2-methyl-5-phenyl-4-thieno[2,3-d]pyrimidinyl)amino]benzoate IUPAC Name: 3-[(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]benzoate Traditional Name: 3-[(2-methyl-5-phenyl-thieno[2,3-d]pyrimidin-4-yl)amino]benzoate Formula: C20H14N3O2S- MolecularWeight: 360.40906

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C2C(=CSC2=N1)C3=CC=CC=C3)NC4=CC=CC(=C4)C(=O)[O-]

Isomeric SMILES

CC1=NC(=C2C(=CSC2=N1)C3=CC=CC=C3)NC4=CC=CC(=C4)C(=O)[O-]

InChI

InChI=1S/C20H15N3O2S/c1-12-21-18(23-15-9-5-8-14(10-15)20(24)25)17-16(11-26-19(17)22-12)13-6-3-2-4-7-13/h2-11H,1H3,(H,24,25)(H,21,22,23)/p-1