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

Systemtic Name: 3-[(4-phenylazanyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]benzoate Openeye Name: 3-[(4-anilino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]benzoate CAS Name: 3-[[4-anilino-6-(1-pyrrolidinyl)-1,3,5-triazin-2-yl]amino]benzoate IUPAC Name: 3-[(4-anilino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]benzoate Traditional Name: 3-[(4-anilino-6-pyrrolidino-s-triazin-2-yl)amino]benzoate Formula: C20H19N6O2- MolecularWeight: 375.40386

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-])NC4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)C2=NC(=NC(=N2)NC3=CC=CC(=C3)C(=O)[O-])NC4=CC=CC=C4

InChI

InChI=1S/C20H20N6O2/c27-17(28)14-7-6-10-16(13-14)22-19-23-18(21-15-8-2-1-3-9-15)24-20(25-19)26-11-4-5-12-26/h1-3,6-10,13H,4-5,11-12H2,(H,27,28)(H2,21,22,23,24,25)/p-1