propyl 3-[[5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]benzoate

Systemtic Name: propyl 3-[[5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]benzoate Openeye Name: propyl 3-[[5-(4-isopropylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]benzoate CAS Name: 3-[[5-(4-propan-2-ylphenyl)-4-thieno[2,3-d]pyrimidinyl]amino]benzoic acid propyl ester IUPAC Name: propyl 3-[[5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]benzoate Traditional Name: 3-[(5-p-cumenylthieno[2,3-d]pyrimidin-4-yl)amino]benzoic acid propyl ester Formula: C25H25N3O2S MolecularWeight: 431.5499

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H25N3O2S/c1-4-12-30-25(29)19-6-5-7-20(13-19)28-23-22-21(14-31-24(22)27-15-26-23)18-10-8-17(9-11-18)16(2)3/h5-11,13-16H,4,12H2,1-3H3,(H,26,27,28)