methyl 3-azanyl-4-[(2,4,5,6-tetradeuteriopyridin-3-yl)methyl]-1H-pyrrole-2-carboxylate

Systemtic Name: methyl 3-azanyl-4-[(2,4,5,6-tetradeuteriopyridin-3-yl)methyl]-1H-pyrrole-2-carboxylate Openeye Name: methyl 3-amino-4-[(2,4,5,6-tetradeuterio-3-pyridyl)methyl]-1H-pyrrole-2-carboxylate CAS Name: 3-amino-4-[(2,4,5,6-tetradeuterio-3-pyridinyl)methyl]-1H-pyrrole-2-carboxylic acid methyl ester IUPAC Name: methyl 3-amino-4-[(2,4,5,6-tetradeuteriopyridin-3-yl)methyl]-1H-pyrrole-2-carboxylate Traditional Name: 3-amino-4-[(2,4,5,6-tetradeuterio-3-pyridyl)methyl]-1H-pyrrole-2-carboxylic acid methyl ester Formula: C12H13N3O2 MolecularWeight: 235.275167

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C(=CN1)CC2=CN=CC=C2)N

Isomeric SMILES

[2H]C1=C(C(=C(N=C1[2H])[2H])CC2=CNC(=C2N)C(=O)OC)[2H]

InChI

InChI=1S/C12H13N3O2/c1-17-12(16)11-10(13)9(7-15-11)5-8-3-2-4-14-6-8/h2-4,6-7,15H,5,13H2,1H3/i2D,3D,4D,6D