(3S)-1-[2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazolin-4-yl]piperidine-3-carboxylic acid

Systemtic Name: (3S)-1-[2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazolin-4-yl]piperidine-3-carboxylic acid Openeye Name: (3S)-1-[2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazolin-4-yl]piperidine-3-carboxylic acid CAS Name: (3S)-1-[2-[[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-4-quinazolinyl]-3-piperidinecarboxylic acid IUPAC Name: (3S)-1-[2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazolin-4-yl]piperidine-3-carboxylic acid Traditional Name: (3S)-1-[2-[[4-(2-pyrimidyl)piperazino]methyl]quinazolin-4-yl]nipecotic acid Formula: C23H27N7O2 MolecularWeight: 433.50618

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=NC(=NC3=CC=CC=C32)CN4CCN(CC4)C5=NC=CC=N5)C(=O)O

Isomeric SMILES

C1C[C@@H](CN(C1)C2=NC(=NC3=CC=CC=C32)CN4CCN(CC4)C5=NC=CC=N5)C(=O)O

InChI

InChI=1S/C23H27N7O2/c31-22(32)17-5-3-10-30(15-17)21-18-6-1-2-7-19(18)26-20(27-21)16-28-11-13-29(14-12-28)23-24-8-4-9-25-23/h1-2,4,6-9,17H,3,5,10-16H2,(H,31,32)/t17-/m0/s1