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

Systemtic Name: 2-[4-[[(1-methylindazol-3-yl)methylamino]methyl]piperidin-1-yl]pyrimidine-5-carboxylic acid Openeye Name: 2-[4-[[(1-methylindazol-3-yl)methylamino]methyl]-1-piperidyl]pyrimidine-5-carboxylic acid CAS Name: 2-[4-[[(1-methyl-3-indazolyl)methylamino]methyl]-1-piperidinyl]-5-pyrimidinecarboxylic acid IUPAC Name: 2-[4-[[(1-methylindazol-3-yl)methylamino]methyl]piperidin-1-yl]pyrimidine-5-carboxylic acid Traditional Name: 2-[4-[[(1-methylindazol-3-yl)methylamino]methyl]piperidino]pyrimidine-5-carboxylic acid Formula: C20H24N6O2 MolecularWeight: 380.44356

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=N1)CNCC3CCN(CC3)C4=NC=C(C=N4)C(=O)O

Isomeric SMILES

CN1C2=CC=CC=C2C(=N1)CNCC3CCN(CC3)C4=NC=C(C=N4)C(=O)O

InChI

InChI=1S/C20H24N6O2/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)