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

Systemtic Name: butyl 3-[[5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]benzoate Openeye Name: butyl 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 butyl ester IUPAC Name: butyl 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 butyl ester Formula: C26H27N3O2S MolecularWeight: 445.57648

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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)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C26H27N3O2S/c1-4-5-13-31-26(30)20-7-6-8-21(14-20)29-24-23-22(15-32-25(23)28-16-27-24)19-11-9-18(10-12-19)17(2)3/h6-12,14-17H,4-5,13H2,1-3H3,(H,27,28,29)