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

Systemtic Name: propan-2-yl 3-[[5-(4-ethoxyphenyl)-6-methyl-thieno[2,3-d]pyrimidin-4-yl]amino]benzoate Openeye Name: isopropyl 3-[[5-(4-ethoxyphenyl)-6-methyl-thieno[2,3-d]pyrimidin-4-yl]amino]benzoate CAS Name: 3-[[5-(4-ethoxyphenyl)-6-methyl-4-thieno[2,3-d]pyrimidinyl]amino]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-[[5-(4-ethoxyphenyl)-6-methylthieno[2,3-d]pyrimidin-4-yl]amino]benzoate Traditional Name: 3-[(6-methyl-5-p-phenetyl-thieno[2,3-d]pyrimidin-4-yl)amino]benzoic acid isopropyl ester Formula: C25H25N3O3S MolecularWeight: 447.5493

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=C(SC3=NC=NC(=C23)NC4=CC=CC(=C4)C(=O)OC(C)C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=C(SC3=NC=NC(=C23)NC4=CC=CC(=C4)C(=O)OC(C)C)C

InChI

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