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

Systemtic Name: 2-diethylaminoethyl 4-[[5-(4-ethylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]benzoate Openeye Name: 2-diethylaminoethyl 4-[[5-(4-ethylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]benzoate CAS Name: 4-[[5-(4-ethylphenyl)-4-thieno[2,3-d]pyrimidinyl]amino]benzoic acid 2-diethylaminoethyl ester IUPAC Name: 2-diethylaminoethyl 4-[[5-(4-ethylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]benzoate Traditional Name: 4-[[5-(4-ethylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]benzoic acid 2-diethylaminoethyl ester Formula: C27H30N4O2S MolecularWeight: 474.6177

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=CSC3=NC=NC(=C23)NC4=CC=C(C=C4)C(=O)OCCN(CC)CC

Isomeric SMILES

CCC1=CC=C(C=C1)C2=CSC3=NC=NC(=C23)NC4=CC=C(C=C4)C(=O)OCCN(CC)CC

InChI

InChI=1S/C27H30N4O2S/c1-4-19-7-9-20(10-8-19)23-17-34-26-24(23)25(28-18-29-26)30-22-13-11-21(12-14-22)27(32)33-16-15-31(5-2)6-3/h7-14,17-18H,4-6,15-16H2,1-3H3,(H,28,29,30)