methyl 1-[4,6-bis[(3S,5R)-3,5-bis(azanyl)piperidin-1-yl]-1,3,5-triazin-2-yl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[4,6-bis[(3S,5R)-3,5-bis(azanyl)piperidin-1-yl]-1,3,5-triazin-2-yl]piperidine-4-carboxylate Openeye Name: methyl 1-[4,6-bis[(3S,5R)-3,5-diamino-1-piperidyl]-1,3,5-triazin-2-yl]piperidine-4-carboxylate CAS Name: 1-[4,6-bis[(3S,5R)-3,5-diamino-1-piperidinyl]-1,3,5-triazin-2-yl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[4,6-bis[(3S,5R)-3,5-diaminopiperidin-1-yl]-1,3,5-triazin-2-yl]piperidine-4-carboxylate Traditional Name: 1-[4,6-bis[(3S,5R)-3,5-diaminopiperidino]-s-triazin-2-yl]isonipecotic acid methyl ester Formula: C20H36N10O2 MolecularWeight: 448.56564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)C2=NC(=NC(=N2)N3CC(CC(C3)N)N)N4CC(CC(C4)N)N

Isomeric SMILES

COC(=O)C1CCN(CC1)C2=NC(=NC(=N2)N3C[C@@H](C[C@@H](C3)N)N)N4C[C@@H](C[C@@H](C4)N)N

InChI

InChI=1S/C20H36N10O2/c1-32-17(31)12-2-4-28(5-3-12)18-25-19(29-8-13(21)6-14(22)9-29)27-20(26-18)30-10-15(23)7-16(24)11-30/h12-16H,2-11,21-24H2,1H3/t13-,14+,15-,16+