phenyl (3aS,7aR)-2-azanyl-1,3a,5,7a-tetrahydroimidazo[4,5-b]pyridine-4-carboxylate

Systemtic Name: phenyl (3aS,7aR)-2-azanyl-1,3a,5,7a-tetrahydroimidazo[4,5-b]pyridine-4-carboxylate Openeye Name: phenyl (3aS,7aR)-2-amino-1,3a,5,7a-tetrahydroimidazo[4,5-b]pyridine-4-carboxylate CAS Name: (3aS,7aR)-2-amino-1,3a,5,7a-tetrahydroimidazo[4,5-b]pyridine-4-carboxylic acid phenyl ester IUPAC Name: phenyl (3aS,7aR)-2-amino-1,3a,5,7a-tetrahydroimidazo[4,5-b]pyridine-4-carboxylate Traditional Name: (3aS,7aR)-2-amino-1,3a,5,7a-tetrahydroimidazo[4,5-b]pyridine-4-carboxylic acid phenyl ester Formula: C13H14N4O2 MolecularWeight: 258.27586

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CC2C(N1C(=O)OC3=CC=CC=C3)N=C(N2)N

Isomeric SMILES

C1C=C[C@@H]2[C@H](N1C(=O)OC3=CC=CC=C3)N=C(N2)N

InChI

InChI=1S/C13H14N4O2/c14-12-15-10-7-4-8-17(11(10)16-12)13(18)19-9-5-2-1-3-6-9/h1-7,10-11H,8H2,(H3,14,15,16)/t10-,11+/m1/s1