2-[4-[(6-methyl-5-phenyl-thieno[2,3-d]pyrimidin-4-yl)amino]phenyl]ethanoate

Systemtic Name: 2-[4-[(6-methyl-5-phenyl-thieno[2,3-d]pyrimidin-4-yl)amino]phenyl]ethanoate Openeye Name: 2-[4-[(6-methyl-5-phenyl-thieno[2,3-d]pyrimidin-4-yl)amino]phenyl]acetate CAS Name: 2-[4-[(6-methyl-5-phenyl-4-thieno[2,3-d]pyrimidinyl)amino]phenyl]acetate IUPAC Name: 2-[4-[(6-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]phenyl]acetate Traditional Name: 2-[4-[(6-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=C(C2=C(N=CN=C2S1)NC3=CC=C(C=C3)CC(=O)[O-])C4=CC=CC=C4

Isomeric SMILES

CC1=C(C2=C(N=CN=C2S1)NC3=CC=C(C=C3)CC(=O)[O-])C4=CC=CC=C4

InChI

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