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

Systemtic Name: methyl 4-[[5-(4-ethoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]benzoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C22H19N3O3S MolecularWeight: 405.46956

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=CSC3=NC=NC(=C23)NC4=CC=C(C=C4)C(=O)OC

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=CSC3=NC=NC(=C23)NC4=CC=C(C=C4)C(=O)OC

InChI

InChI=1S/C22H19N3O3S/c1-3-28-17-10-6-14(7-11-17)18-12-29-21-19(18)20(23-13-24-21)25-16-8-4-15(5-9-16)22(26)27-2/h4-13H,3H2,1-2H3,(H,23,24,25)