4-[[(2-piperidin-1-ylthieno[3,2-d]pyrimidin-4-yl)amino]methyl]benzoic acid

Systemtic Name: 4-[[(2-piperidin-1-ylthieno[3,2-d]pyrimidin-4-yl)amino]methyl]benzoic acid Openeye Name: 4-[[[2-(1-piperidyl)thieno[3,2-d]pyrimidin-4-yl]amino]methyl]benzoic acid CAS Name: 4-[[[2-(1-piperidinyl)-4-thieno[3,2-d]pyrimidinyl]amino]methyl]benzoic acid IUPAC Name: 4-[[(2-piperidin-1-ylthieno[3,2-d]pyrimidin-4-yl)amino]methyl]benzoic acid Traditional Name: 4-[[(2-piperidinothieno[3,2-d]pyrimidin-4-yl)amino]methyl]benzoic acid Formula: C19H20N4O2S MolecularWeight: 368.4527

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=NC3=C(C(=N2)NCC4=CC=C(C=C4)C(=O)O)SC=C3

Isomeric SMILES

C1CCN(CC1)C2=NC3=C(C(=N2)NCC4=CC=C(C=C4)C(=O)O)SC=C3

InChI

InChI=1S/C19H20N4O2S/c24-18(25)14-6-4-13(5-7-14)12-20-17-16-15(8-11-26-16)21-19(22-17)23-9-2-1-3-10-23/h4-8,11H,1-3,9-10,12H2,(H,24,25)(H,20,21,22)