2-[3-[[[2-(thiophen-2-ylmethylamino)thieno[3,2-d]pyrimidin-4-yl]amino]methyl]phenyl]ethanoic acid

Systemtic Name: 2-[3-[[[2-(thiophen-2-ylmethylamino)thieno[3,2-d]pyrimidin-4-yl]amino]methyl]phenyl]ethanoic acid Openeye Name: 2-[3-[[[2-(2-thienylmethylamino)thieno[3,2-d]pyrimidin-4-yl]amino]methyl]phenyl]acetic acid CAS Name: 2-[3-[[[2-(thiophen-2-ylmethylamino)-4-thieno[3,2-d]pyrimidinyl]amino]methyl]phenyl]acetic acid IUPAC Name: 2-[3-[[[2-(thiophen-2-ylmethylamino)thieno[3,2-d]pyrimidin-4-yl]amino]methyl]phenyl]acetic acid Traditional Name: 2-[3-[[[2-(2-thenylamino)thieno[3,2-d]pyrimidin-4-yl]amino]methyl]phenyl]acetic acid Formula: C20H18N4O2S2 MolecularWeight: 410.51252

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CNC2=NC(=NC3=C2SC=C3)NCC4=CC=CS4)CC(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)CNC2=NC(=NC3=C2SC=C3)NCC4=CC=CS4)CC(=O)O

InChI

InChI=1S/C20H18N4O2S2/c25-17(26)10-13-3-1-4-14(9-13)11-21-19-18-16(6-8-28-18)23-20(24-19)22-12-15-5-2-7-27-15/h1-9H,10-12H2,(H,25,26)(H2,21,22,23,24)