O1-tert-butyl O4-methyl (3aS,7aR)-2-azanyl-5,6,7,7a-tetrahydro-3aH-imidazo[4,5-b]pyridine-1,4-dicarboxylate

Systemtic Name: O1-tert-butyl O4-methyl (3aS,7aR)-2-azanyl-5,6,7,7a-tetrahydro-3aH-imidazo[4,5-b]pyridine-1,4-dicarboxylate Openeye Name: O1-tert-butyl O4-methyl (3aS,7aR)-2-amino-5,6,7,7a-tetrahydro-3aH-imidazo[4,5-b]pyridine-1,4-dicarboxylate CAS Name: (3aS,7aR)-2-amino-5,6,7,7a-tetrahydro-3aH-imidazo[4,5-b]pyridine-1,4-dicarboxylic acid O1-tert-butyl ester O4-methyl ester IUPAC Name: 1-O-tert-butyl 4-O-methyl (3aS,7aR)-2-amino-5,6,7,7a-tetrahydro-3aH-imidazo[4,5-b]pyridine-1,4-dicarboxylate Traditional Name: (3aS,7aR)-2-amino-5,6,7,7a-tetrahydro-3aH-imidazo[4,5-b]pyridine-1,4-dicarboxylic acid O1-tert-butyl ester O4-methyl ester Formula: C13H22N4O4 MolecularWeight: 298.33818

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C2CCCN(C2N=C1N)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)N1[C@@H]2CCCN([C@@H]2N=C1N)C(=O)OC

InChI

InChI=1S/C13H22N4O4/c1-13(2,3)21-12(19)17-8-6-5-7-16(11(18)20-4)9(8)15-10(17)14/h8-9H,5-7H2,1-4H3,(H2,14,15)/t8-,9+/m1/s1