butyl 3-[[5-(4-ethoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]benzoate

Systemtic Name: butyl 3-[[5-(4-ethoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]benzoate Openeye Name: butyl 3-[[5-(4-ethoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]benzoate CAS Name: 3-[[5-(4-ethoxyphenyl)-4-thieno[2,3-d]pyrimidinyl]amino]benzoic acid butyl ester IUPAC Name: butyl 3-[[5-(4-ethoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]benzoate Traditional Name: 3-[(5-p-phenetylthieno[2,3-d]pyrimidin-4-yl)amino]benzoic acid butyl ester Formula: C25H25N3O3S MolecularWeight: 447.5493

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H25N3O3S/c1-3-5-13-31-25(29)18-7-6-8-19(14-18)28-23-22-21(15-32-24(22)27-16-26-23)17-9-11-20(12-10-17)30-4-2/h6-12,14-16H,3-5,13H2,1-2H3,(H,26,27,28)