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

Systemtic Name: 2-[(4-phenylazanyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]benzoic acid Openeye Name: 2-[(4-anilino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]benzoic acid CAS Name: 2-[[4-anilino-6-(1-pyrrolidinyl)-1,3,5-triazin-2-yl]amino]benzoic acid IUPAC Name: 2-[(4-anilino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]benzoic acid Traditional Name: 2-[(4-anilino-6-pyrrolidino-s-triazin-2-yl)amino]benzoic acid Formula: C20H20N6O2 MolecularWeight: 376.4118

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NC(=NC(=N2)NC3=CC=CC=C3C(=O)O)NC4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)C2=NC(=NC(=N2)NC3=CC=CC=C3C(=O)O)NC4=CC=CC=C4

InChI

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