4-[6-ethyl-4-[(3-nitrophenyl)methylamino]thieno[2,3-d]pyrimidin-2-yl]benzoic acid

Systemtic Name: 4-[6-ethyl-4-[(3-nitrophenyl)methylamino]thieno[2,3-d]pyrimidin-2-yl]benzoic acid Openeye Name: 4-[6-ethyl-4-[(3-nitrophenyl)methylamino]thieno[2,3-d]pyrimidin-2-yl]benzoic acid CAS Name: 4-[6-ethyl-4-[(3-nitrophenyl)methylamino]-2-thieno[2,3-d]pyrimidinyl]benzoic acid IUPAC Name: 4-[6-ethyl-4-[(3-nitrophenyl)methylamino]thieno[2,3-d]pyrimidin-2-yl]benzoic acid Traditional Name: 4-[6-ethyl-4-[(3-nitrobenzyl)amino]thieno[2,3-d]pyrimidin-2-yl]benzoic acid Formula: C22H18N4O4S MolecularWeight: 434.46772

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(N=C(N=C2S1)C3=CC=C(C=C3)C(=O)O)NCC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC2=C(N=C(N=C2S1)C3=CC=C(C=C3)C(=O)O)NCC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H18N4O4S/c1-2-17-11-18-20(23-12-13-4-3-5-16(10-13)26(29)30)24-19(25-21(18)31-17)14-6-8-15(9-7-14)22(27)28/h3-11H,2,12H2,1H3,(H,27,28)(H,23,24,25)