1-[5-azanyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-4-yl]piperidine-4-carboxylic acid

Systemtic Name: 1-[5-azanyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-4-yl]piperidine-4-carboxylic acid Openeye Name: 1-[5-amino-6-[(5-methylisoxazol-3-yl)amino]pyrimidin-4-yl]piperidine-4-carboxylic acid CAS Name: 1-[5-amino-6-[(5-methyl-3-isoxazolyl)amino]-4-pyrimidinyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[5-amino-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-4-yl]piperidine-4-carboxylic acid Traditional Name: 1-[5-amino-6-[(5-methylisoxazol-3-yl)amino]pyrimidin-4-yl]isonipecotic acid Formula: C14H18N6O3 MolecularWeight: 318.33112

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC2=NC=NC(=C2N)N3CCC(CC3)C(=O)O

Isomeric SMILES

CC1=CC(=NO1)NC2=NC=NC(=C2N)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C14H18N6O3/c1-8-6-10(19-23-8)18-12-11(15)13(17-7-16-12)20-4-2-9(3-5-20)14(21)22/h6-7,9H,2-5,15H2,1H3,(H,21,22)(H,16,17,18,19)