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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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