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

Systemtic Name: 4-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]benzoate Openeye Name: 4-[[4,6-bis(1-piperidyl)-1,3,5-triazin-2-yl]amino]benzoate CAS Name: 4-[[4,6-bis(1-piperidinyl)-1,3,5-triazin-2-yl]amino]benzoate IUPAC Name: 4-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]benzoate Traditional Name: 4-[(4,6-dipiperidino-s-triazin-2-yl)amino]benzoate Formula: C20H25N6O2- MolecularWeight: 381.4515

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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