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

Systemtic Name: 2-diethylaminoethyl 4-[[5-(4-ethoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]benzoate Openeye Name: 2-diethylaminoethyl 4-[[5-(4-ethoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]benzoate CAS Name: 4-[[5-(4-ethoxyphenyl)-4-thieno[2,3-d]pyrimidinyl]amino]benzoic acid 2-diethylaminoethyl ester IUPAC Name: 2-diethylaminoethyl 4-[[5-(4-ethoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]benzoate Traditional Name: 4-[(5-p-phenetylthieno[2,3-d]pyrimidin-4-yl)amino]benzoic acid 2-diethylaminoethyl ester Formula: C27H30N4O3S MolecularWeight: 490.6171

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCOC(=O)C1=CC=C(C=C1)NC2=C3C(=CSC3=NC=N2)C4=CC=C(C=C4)OCC

Isomeric SMILES

CCN(CC)CCOC(=O)C1=CC=C(C=C1)NC2=C3C(=CSC3=NC=N2)C4=CC=C(C=C4)OCC

InChI

InChI=1S/C27H30N4O3S/c1-4-31(5-2)15-16-34-27(32)20-7-11-21(12-8-20)30-25-24-23(17-35-26(24)29-18-28-25)19-9-13-22(14-10-19)33-6-3/h7-14,17-18H,4-6,15-16H2,1-3H3,(H,28,29,30)