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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC=C(C=C1)NC2=C3C(=C(SC3=NC=N2)C)C4=CC=C(C=C4)OCC

Isomeric SMILES

CCCOC(=O)C1=CC=C(C=C1)NC2=C3C(=C(SC3=NC=N2)C)C4=CC=C(C=C4)OCC

InChI

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