2-[[4-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]phenyl]carbonylamino]ethanoate

Systemtic Name: 2-[[4-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]phenyl]carbonylamino]ethanoate Openeye Name: 2-[[4-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]benzoyl]amino]acetate CAS Name: 2-[[oxo-[4-[(6-phenyl-4-thieno[2,3-d]pyrimidinyl)amino]phenyl]methyl]amino]acetate IUPAC Name: 2-[[4-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]benzoyl]amino]acetate Traditional Name: 2-[[4-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]benzoyl]amino]acetate Formula: C21H15N4O3S- MolecularWeight: 403.4338

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC3=C(N=CN=C3S2)NC4=CC=C(C=C4)C(=O)NCC(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=CC3=C(N=CN=C3S2)NC4=CC=C(C=C4)C(=O)NCC(=O)[O-]

InChI

InChI=1S/C21H16N4O3S/c26-18(27)11-22-20(28)14-6-8-15(9-7-14)25-19-16-10-17(13-4-2-1-3-5-13)29-21(16)24-12-23-19/h1-10,12H,11H2,(H,22,28)(H,26,27)(H,23,24,25)/p-1