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

Systemtic Name: 3-[[5-(3,4-dimethoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]benzoate Openeye Name: 3-[[5-(3,4-dimethoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]benzoate CAS Name: 3-[[5-(3,4-dimethoxyphenyl)-4-thieno[2,3-d]pyrimidinyl]amino]benzoate IUPAC Name: 3-[[5-(3,4-dimethoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]benzoate Traditional Name: 3-[[5-(3,4-dimethoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]benzoate Formula: C21H16N3O4S- MolecularWeight: 406.43444

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CSC3=NC=NC(=C23)NC4=CC=CC(=C4)C(=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CSC3=NC=NC(=C23)NC4=CC=CC(=C4)C(=O)[O-])OC

InChI

InChI=1S/C21H17N3O4S/c1-27-16-7-6-12(9-17(16)28-2)15-10-29-20-18(15)19(22-11-23-20)24-14-5-3-4-13(8-14)21(25)26/h3-11H,1-2H3,(H,25,26)(H,22,23,24)/p-1