4-[[[2-(furan-2-ylmethylamino)thieno[3,2-d]pyrimidin-4-yl]amino]methyl]benzoic acid

Systemtic Name: 4-[[[2-(furan-2-ylmethylamino)thieno[3,2-d]pyrimidin-4-yl]amino]methyl]benzoic acid Openeye Name: 4-[[[2-(2-furylmethylamino)thieno[3,2-d]pyrimidin-4-yl]amino]methyl]benzoic acid CAS Name: 4-[[[2-(2-furanylmethylamino)-4-thieno[3,2-d]pyrimidinyl]amino]methyl]benzoic acid IUPAC Name: 4-[[[2-(furan-2-ylmethylamino)thieno[3,2-d]pyrimidin-4-yl]amino]methyl]benzoic acid Traditional Name: 4-[[[2-(2-furfurylamino)thieno[3,2-d]pyrimidin-4-yl]amino]methyl]benzoic acid Formula: C19H16N4O3S MolecularWeight: 380.42034

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)CNC2=NC3=C(C(=N2)NCC4=CC=C(C=C4)C(=O)O)SC=C3

Isomeric SMILES

C1=COC(=C1)CNC2=NC3=C(C(=N2)NCC4=CC=C(C=C4)C(=O)O)SC=C3

InChI

InChI=1S/C19H16N4O3S/c24-18(25)13-5-3-12(4-6-13)10-20-17-16-15(7-9-27-16)22-19(23-17)21-11-14-2-1-8-26-14/h1-9H,10-11H2,(H,24,25)(H2,20,21,22,23)