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

Systemtic Name: 2-diethylaminoethyl 4-[[5-(4-ethoxyphenyl)-6-methyl-thieno[2,3-d]pyrimidin-4-yl]amino]benzoate Openeye Name: 2-diethylaminoethyl 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 2-diethylaminoethyl ester IUPAC Name: 2-diethylaminoethyl 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 2-diethylaminoethyl ester Formula: C28H32N4O3S MolecularWeight: 504.64368

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H32N4O3S/c1-5-32(6-2)16-17-35-28(33)21-8-12-22(13-9-21)31-26-25-24(19(4)36-27(25)30-18-29-26)20-10-14-23(15-11-20)34-7-3/h8-15,18H,5-7,16-17H2,1-4H3,(H,29,30,31)