3-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]benzoic acid

Systemtic Name: 3-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]benzoic acid Openeye Name: 3-[[4,6-bis(1-piperidyl)-1,3,5-triazin-2-yl]amino]benzoic acid CAS Name: 3-[[4,6-bis(1-piperidinyl)-1,3,5-triazin-2-yl]amino]benzoic acid IUPAC Name: 3-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]benzoic acid Traditional Name: 3-[(4,6-dipiperidino-s-triazin-2-yl)amino]benzoic acid Formula: C20H26N6O2 MolecularWeight: 382.45944

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=NC(=NC(=N2)NC3=CC=CC(=C3)C(=O)O)N4CCCCC4

Isomeric SMILES

C1CCN(CC1)C2=NC(=NC(=N2)NC3=CC=CC(=C3)C(=O)O)N4CCCCC4

InChI

InChI=1S/C20H26N6O2/c27-17(28)15-8-7-9-16(14-15)21-18-22-19(25-10-3-1-4-11-25)24-20(23-18)26-12-5-2-6-13-26/h7-9,14H,1-6,10-13H2,(H,27,28)(H,21,22,23,24)