sodium 2-[4-[[(1-methylindazol-3-yl)methylamino]methyl]piperidin-1-yl]pyrimidine-5-carboxylate

Systemtic Name: sodium 2-[4-[[(1-methylindazol-3-yl)methylamino]methyl]piperidin-1-yl]pyrimidine-5-carboxylate Openeye Name: sodium 2-[4-[[(1-methylindazol-3-yl)methylamino]methyl]-1-piperidyl]pyrimidine-5-carboxylate CAS Name: sodium 2-[4-[[(1-methyl-3-indazolyl)methylamino]methyl]-1-piperidinyl]-5-pyrimidinecarboxylate IUPAC Name: sodium 2-[4-[[(1-methylindazol-3-yl)methylamino]methyl]piperidin-1-yl]pyrimidine-5-carboxylate Traditional Name: sodium 2-[4-[[(1-methylindazol-3-yl)methylamino]methyl]piperidino]pyrimidine-5-carboxylate Formula: C20H23N6NaO2 MolecularWeight: 402.42539

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=N1)CNCC3CCN(CC3)C4=NC=C(C=N4)C(=O)[O-].[Na+]

Isomeric SMILES

CN1C2=CC=CC=C2C(=N1)CNCC3CCN(CC3)C4=NC=C(C=N4)C(=O)[O-].[Na+]

InChI

InChI=1S/C20H24N6O2.Na/c1-25-18-5-3-2-4-16(18)17(24-25)13-21-10-14-6-8-26(9-7-14)20-22-11-15(12-23-20)19(27)28;/h2-5,11-12,14,21H,6-10,13H2,1H3,(H,27,28);/q;+1/p-1