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

Systemtic Name: (2R)-1-[2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazolin-4-yl]pyrrolidine-2-carboxylic acid Openeye Name: (2R)-1-[2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazolin-4-yl]pyrrolidine-2-carboxylic acid CAS Name: (2R)-1-[2-[[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-4-quinazolinyl]-2-pyrrolidinecarboxylic acid IUPAC Name: (2R)-1-[2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazolin-4-yl]pyrrolidine-2-carboxylic acid Traditional Name: (2R)-1-[2-[[4-(2-pyrimidyl)piperazino]methyl]quinazolin-4-yl]proline Formula: C22H25N7O2 MolecularWeight: 419.4796

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N7O2/c30-21(31)18-7-3-10-29(18)20-16-5-1-2-6-17(16)25-19(26-20)15-27-11-13-28(14-12-27)22-23-8-4-9-24-22/h1-2,4-6,8-9,18H,3,7,10-15H2,(H,30,31)/t18-/m1/s1