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

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

Isomeric SMILES

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

InChI

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