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

Systemtic Name: ethyl 4-[(2-methyl-5-phenyl-thieno[2,3-d]pyrimidin-4-yl)amino]benzoate Openeye Name: ethyl 4-[(2-methyl-5-phenyl-thieno[2,3-d]pyrimidin-4-yl)amino]benzoate CAS Name: 4-[(2-methyl-5-phenyl-4-thieno[2,3-d]pyrimidinyl)amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]benzoate Traditional Name: 4-[(2-methyl-5-phenyl-thieno[2,3-d]pyrimidin-4-yl)amino]benzoic acid ethyl ester Formula: C22H19N3O2S MolecularWeight: 389.47016

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC2=C3C(=CSC3=NC(=N2)C)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC2=C3C(=CSC3=NC(=N2)C)C4=CC=CC=C4

InChI

InChI=1S/C22H19N3O2S/c1-3-27-22(26)16-9-11-17(12-10-16)25-20-19-18(15-7-5-4-6-8-15)13-28-21(19)24-14(2)23-20/h4-13H,3H2,1-2H3,(H,23,24,25)