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

Systemtic Name: ethyl 4-[[5-(3-nitrophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]benzoate Openeye Name: ethyl 4-[[5-(3-nitrophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]benzoate CAS Name: 4-[[5-(3-nitrophenyl)-4-thieno[2,3-d]pyrimidinyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[5-(3-nitrophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]benzoate Traditional Name: 4-[[5-(3-nitrophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]benzoic acid ethyl ester Formula: C21H16N4O4S MolecularWeight: 420.44114

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC2=C3C(=CSC3=NC=N2)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC2=C3C(=CSC3=NC=N2)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H16N4O4S/c1-2-29-21(26)13-6-8-15(9-7-13)24-19-18-17(11-30-20(18)23-12-22-19)14-4-3-5-16(10-14)25(27)28/h3-12H,2H2,1H3,(H,22,23,24)