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

Systemtic Name: 3-[(4-phenylazanyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]benzoic acid Openeye Name: 3-[[4-anilino-6-(1-piperidyl)-1,3,5-triazin-2-yl]amino]benzoic acid CAS Name: 3-[[4-anilino-6-(1-piperidinyl)-1,3,5-triazin-2-yl]amino]benzoic acid IUPAC Name: 3-[(4-anilino-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]benzoic acid Traditional Name: 3-[(4-anilino-6-piperidino-s-triazin-2-yl)amino]benzoic acid Formula: C21H22N6O2 MolecularWeight: 390.43838

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=NC(=NC(=N2)NC3=CC=CC(=C3)C(=O)O)NC4=CC=CC=C4

Isomeric SMILES

C1CCN(CC1)C2=NC(=NC(=N2)NC3=CC=CC(=C3)C(=O)O)NC4=CC=CC=C4

InChI

InChI=1S/C21H22N6O2/c28-18(29)15-8-7-11-17(14-15)23-20-24-19(22-16-9-3-1-4-10-16)25-21(26-20)27-12-5-2-6-13-27/h1,3-4,7-11,14H,2,5-6,12-13H2,(H,28,29)(H2,22,23,24,25,26)