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

Systemtic Name: 2-[4-[[(1-methylindol-3-yl)methylamino]methyl]piperidin-1-yl]pyrimidine-5-carboxylic acid Openeye Name: 2-[4-[[(1-methylindol-3-yl)methylamino]methyl]-1-piperidyl]pyrimidine-5-carboxylic acid CAS Name: 2-[4-[[(1-methyl-3-indolyl)methylamino]methyl]-1-piperidinyl]-5-pyrimidinecarboxylic acid IUPAC Name: 2-[4-[[(1-methylindol-3-yl)methylamino]methyl]piperidin-1-yl]pyrimidine-5-carboxylic acid Traditional Name: 2-[4-[[(1-methylindol-3-yl)methylamino]methyl]piperidino]pyrimidine-5-carboxylic acid Formula: C21H25N5O2 MolecularWeight: 379.4555

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=CC=CC=C21)CNCC3CCN(CC3)C4=NC=C(C=N4)C(=O)O

Isomeric SMILES

CN1C=C(C2=CC=CC=C21)CNCC3CCN(CC3)C4=NC=C(C=N4)C(=O)O

InChI

InChI=1S/C21H25N5O2/c1-25-14-17(18-4-2-3-5-19(18)25)11-22-10-15-6-8-26(9-7-15)21-23-12-16(13-24-21)20(27)28/h2-5,12-15,22H,6-11H2,1H3,(H,27,28)