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

Systemtic Name: 2-[4-[(2-methyl-5-phenyl-thieno[2,3-d]pyrimidin-4-yl)amino]phenyl]ethanoate Openeye Name: 2-[4-[(2-methyl-5-phenyl-thieno[2,3-d]pyrimidin-4-yl)amino]phenyl]acetate CAS Name: 2-[4-[(2-methyl-5-phenyl-4-thieno[2,3-d]pyrimidinyl)amino]phenyl]acetate IUPAC Name: 2-[4-[(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]phenyl]acetate Traditional Name: 2-[4-[(2-methyl-5-phenyl-thieno[2,3-d]pyrimidin-4-yl)amino]phenyl]acetate Formula: C21H16N3O2S- MolecularWeight: 374.43564

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17N3O2S/c1-13-22-20(24-16-9-7-14(8-10-16)11-18(25)26)19-17(12-27-21(19)23-13)15-5-3-2-4-6-15/h2-10,12H,11H2,1H3,(H,25,26)(H,22,23,24)/p-1