1-[4,6-bis[3,5-bis(azanyl)piperidin-1-yl]-1,3,5-triazin-2-yl]piperidine-3-carboxylic acid

Systemtic Name: 1-[4,6-bis[3,5-bis(azanyl)piperidin-1-yl]-1,3,5-triazin-2-yl]piperidine-3-carboxylic acid Openeye Name: 1-[4,6-bis(3,5-diamino-1-piperidyl)-1,3,5-triazin-2-yl]piperidine-3-carboxylic acid CAS Name: 1-[4,6-bis(3,5-diamino-1-piperidinyl)-1,3,5-triazin-2-yl]-3-piperidinecarboxylic acid IUPAC Name: 1-[4,6-bis(3,5-diaminopiperidin-1-yl)-1,3,5-triazin-2-yl]piperidine-3-carboxylic acid Traditional Name: 1-[4,6-bis(3,5-diaminopiperidino)-s-triazin-2-yl]nipecotic acid Formula: C19H34N10O2 MolecularWeight: 434.53906

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=NC(=NC(=N2)N3CC(CC(C3)N)N)N4CC(CC(C4)N)N)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C2=NC(=NC(=N2)N3CC(CC(C3)N)N)N4CC(CC(C4)N)N)C(=O)O

InChI

InChI=1S/C19H34N10O2/c20-12-4-13(21)8-28(7-12)18-24-17(27-3-1-2-11(6-27)16(30)31)25-19(26-18)29-9-14(22)5-15(23)10-29/h11-15H,1-10,20-23H2,(H,30,31)