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

Systemtic Name: 2-[(4-phenylazanyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]propanoic acid Openeye Name: 2-[[4-anilino-6-(1-piperidyl)-1,3,5-triazin-2-yl]amino]propanoic acid CAS Name: 2-[[4-anilino-6-(1-piperidinyl)-1,3,5-triazin-2-yl]amino]propanoic acid IUPAC Name: 2-[(4-anilino-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]propanoic acid Traditional Name: 2-[(4-anilino-6-piperidino-s-triazin-2-yl)amino]propionic acid Formula: C17H22N6O2 MolecularWeight: 342.39558

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)NC1=NC(=NC(=N1)NC2=CC=CC=C2)N3CCCCC3

Isomeric SMILES

CC(C(=O)O)NC1=NC(=NC(=N1)NC2=CC=CC=C2)N3CCCCC3

InChI

InChI=1S/C17H22N6O2/c1-12(14(24)25)18-15-20-16(19-13-8-4-2-5-9-13)22-17(21-15)23-10-6-3-7-11-23/h2,4-5,8-9,12H,3,6-7,10-11H2,1H3,(H,24,25)(H2,18,19,20,21,22)