2-(2-azanyl-1,3-diazinan-1-yl)benzoic acid

Systemtic Name: 2-(2-azanyl-1,3-diazinan-1-yl)benzoic acid Openeye Name: 2-(2-aminohexahydropyrimidin-1-yl)benzoic acid CAS Name: 2-(2-amino-1,3-diazinan-1-yl)benzoic acid IUPAC Name: 2-(2-amino-1,3-diazinan-1-yl)benzoic acid Traditional Name: 2-(2-aminohexahydropyrimidin-1-yl)benzoic acid Formula: C11H15N3O2 MolecularWeight: 221.2557

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Descriptors Computed from Structure

Canonical SMILES:

C1CNC(N(C1)C2=CC=CC=C2C(=O)O)N

Isomeric SMILES

C1CNC(N(C1)C2=CC=CC=C2C(=O)O)N

InChI

InChI=1S/C11H15N3O2/c12-11-13-6-3-7-14(11)9-5-2-1-4-8(9)10(15)16/h1-2,4-5,11,13H,3,6-7,12H2,(H,15,16)