1-[2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazolin-4-yl]piperidine-4-carboxylic acid

Systemtic Name: 1-[2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazolin-4-yl]piperidine-4-carboxylic acid Openeye Name: 1-[2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazolin-4-yl]piperidine-4-carboxylic acid CAS Name: 1-[2-[[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-4-quinazolinyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazolin-4-yl]piperidine-4-carboxylic acid Traditional Name: 1-[2-[[4-(2-pyrimidyl)piperazino]methyl]quinazolin-4-yl]isonipecotic acid Formula: C23H27N7O2 MolecularWeight: 433.50618

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C2=NC(=NC3=CC=CC=C32)CN4CCN(CC4)C5=NC=CC=N5

Isomeric SMILES

C1CN(CCC1C(=O)O)C2=NC(=NC3=CC=CC=C32)CN4CCN(CC4)C5=NC=CC=N5

InChI

InChI=1S/C23H27N7O2/c31-22(32)17-6-10-29(11-7-17)21-18-4-1-2-5-19(18)26-20(27-21)16-28-12-14-30(15-13-28)23-24-8-3-9-25-23/h1-5,8-9,17H,6-7,10-16H2,(H,31,32)