1-(1-pteridin-4-ylpiperidin-4-yl)carbonylpiperidine-4-carboxylic acid

Systemtic Name: 1-(1-pteridin-4-ylpiperidin-4-yl)carbonylpiperidine-4-carboxylic acid Openeye Name: 1-(1-pteridin-4-ylpiperidine-4-carbonyl)piperidine-4-carboxylic acid CAS Name: 1-[oxo-[1-(4-pteridinyl)-4-piperidinyl]methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-(1-pteridin-4-ylpiperidine-4-carbonyl)piperidine-4-carboxylic acid Traditional Name: 1-(1-pteridin-4-ylisonipecotoyl)isonipecotic acid Formula: C18H22N6O3 MolecularWeight: 370.40568

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)N2CCC(CC2)C(=O)O)C3=NC=NC4=NC=CN=C43

Isomeric SMILES

C1CN(CCC1C(=O)N2CCC(CC2)C(=O)O)C3=NC=NC4=NC=CN=C43

InChI

InChI=1S/C18H22N6O3/c25-17(24-9-3-13(4-10-24)18(26)27)12-1-7-23(8-2-12)16-14-15(21-11-22-16)20-6-5-19-14/h5-6,11-13H,1-4,7-10H2,(H,26,27)