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

Systemtic Name: 3-[[5-(4-ethoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]benzoate Openeye Name: 3-[[5-(4-ethoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]benzoate CAS Name: 3-[[5-(4-ethoxyphenyl)-4-thieno[2,3-d]pyrimidinyl]amino]benzoate IUPAC Name: 3-[[5-(4-ethoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]benzoate Traditional Name: 3-[(5-p-phenetylthieno[2,3-d]pyrimidin-4-yl)amino]benzoate Formula: C21H16N3O3S- MolecularWeight: 390.43504

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=CSC3=NC=NC(=C23)NC4=CC=CC(=C4)C(=O)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=CSC3=NC=NC(=C23)NC4=CC=CC(=C4)C(=O)[O-]

InChI

InChI=1S/C21H17N3O3S/c1-2-27-16-8-6-13(7-9-16)17-11-28-20-18(17)19(22-12-23-20)24-15-5-3-4-14(10-15)21(25)26/h3-12H,2H2,1H3,(H,25,26)(H,22,23,24)/p-1