1-[4-azanyl-6-(2,3-dihydro-1H-inden-2-ylamino)-1,3,5-triazin-2-yl]piperidine-4-carboxylic acid

Systemtic Name: 1-[4-azanyl-6-(2,3-dihydro-1H-inden-2-ylamino)-1,3,5-triazin-2-yl]piperidine-4-carboxylic acid Openeye Name: 1-[4-amino-6-(indan-2-ylamino)-1,3,5-triazin-2-yl]piperidine-4-carboxylic acid CAS Name: 1-[4-amino-6-(2,3-dihydro-1H-inden-2-ylamino)-1,3,5-triazin-2-yl]-4-piperidinecarboxylic acid IUPAC Name: 1-[4-amino-6-(2,3-dihydro-1H-inden-2-ylamino)-1,3,5-triazin-2-yl]piperidine-4-carboxylic acid Traditional Name: 1-[4-amino-6-(indan-2-ylamino)-s-triazin-2-yl]isonipecotic acid Formula: C18H22N6O2 MolecularWeight: 354.40628

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C2=NC(=NC(=N2)NC3CC4=CC=CC=C4C3)N

Isomeric SMILES

C1CN(CCC1C(=O)O)C2=NC(=NC(=N2)NC3CC4=CC=CC=C4C3)N

InChI

InChI=1S/C18H22N6O2/c19-16-21-17(20-14-9-12-3-1-2-4-13(12)10-14)23-18(22-16)24-7-5-11(6-8-24)15(25)26/h1-4,11,14H,5-10H2,(H,25,26)(H3,19,20,21,22,23)