[1-oxidanylidene-1-(7H-purin-6-ylamino)propan-2-yl] pyridine-2-carboxylate

Systemtic Name: [1-oxidanylidene-1-(7H-purin-6-ylamino)propan-2-yl] pyridine-2-carboxylate Openeye Name: [1-methyl-2-oxo-2-(7H-purin-6-ylamino)ethyl] pyridine-2-carboxylate CAS Name: 2-pyridinecarboxylic acid [1-oxo-1-(7H-purin-6-ylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(7H-purin-6-ylamino)propan-2-yl] pyridine-2-carboxylate Traditional Name: picolinic acid [2-keto-1-methyl-2-(7H-purin-6-ylamino)ethyl] ester Formula: C14H12N6O3 MolecularWeight: 312.28348

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=NC=NC2=C1NC=N2)OC(=O)C3=CC=CC=N3

Isomeric SMILES

CC(C(=O)NC1=NC=NC2=C1NC=N2)OC(=O)C3=CC=CC=N3

InChI

InChI=1S/C14H12N6O3/c1-8(23-14(22)9-4-2-3-5-15-9)13(21)20-12-10-11(17-6-16-10)18-7-19-12/h2-8H,1H3,(H2,16,17,18,19,20,21)