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

Systemtic Name: 4-[(4-phenylazanyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]benzoic acid Openeye Name: 4-[[4-anilino-6-(1-piperidyl)-1,3,5-triazin-2-yl]amino]benzoic acid CAS Name: 4-[[4-anilino-6-(1-piperidinyl)-1,3,5-triazin-2-yl]amino]benzoic acid IUPAC Name: 4-[(4-anilino-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]benzoic acid Traditional Name: 4-[(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=C(C=C3)C(=O)O)NC4=CC=CC=C4

Isomeric SMILES

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

InChI

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