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

Systemtic Name: 3-[(4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]benzoate Openeye Name: 3-[(4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]benzoate CAS Name: 3-[[4,6-bis(1-pyrrolidinyl)-1,3,5-triazin-2-yl]amino]benzoate IUPAC Name: 3-[(4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]benzoate Traditional Name: 3-[(4,6-dipyrrolidino-s-triazin-2-yl)amino]benzoate Formula: C18H21N6O2- MolecularWeight: 353.39834

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NC(=NC(=N2)NC3=CC=CC(=C3)C(=O)[O-])N4CCCC4

Isomeric SMILES

C1CCN(C1)C2=NC(=NC(=N2)NC3=CC=CC(=C3)C(=O)[O-])N4CCCC4

InChI

InChI=1S/C18H22N6O2/c25-15(26)13-6-5-7-14(12-13)19-16-20-17(23-8-1-2-9-23)22-18(21-16)24-10-3-4-11-24/h5-7,12H,1-4,8-11H2,(H,25,26)(H,19,20,21,22)/p-1