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

Systemtic Name: 4-[(4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]benzoic acid Openeye Name: 4-[(4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]benzoic acid CAS Name: 4-[[4,6-bis(1-pyrrolidinyl)-1,3,5-triazin-2-yl]amino]benzoic acid IUPAC Name: 4-[(4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]benzoic acid Traditional Name: 4-[(4,6-dipyrrolidino-s-triazin-2-yl)amino]benzoic acid Formula: C18H22N6O2 MolecularWeight: 354.40628

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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