[(2S)-1-oxidanylidene-1-(7H-purin-6-ylamino)propan-2-yl] 3-azanylpyrazine-2-carboxylate

Systemtic Name: [(2S)-1-oxidanylidene-1-(7H-purin-6-ylamino)propan-2-yl] 3-azanylpyrazine-2-carboxylate Openeye Name: [(1S)-1-methyl-2-oxo-2-(7H-purin-6-ylamino)ethyl] 3-aminopyrazine-2-carboxylate CAS Name: 3-amino-2-pyrazinecarboxylic acid [(2S)-1-oxo-1-(7H-purin-6-ylamino)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(7H-purin-6-ylamino)propan-2-yl] 3-aminopyrazine-2-carboxylate Traditional Name: 3-aminopyrazinic acid [(1S)-2-keto-1-methyl-2-(7H-purin-6-ylamino)ethyl] ester Formula: C13H12N8O3 MolecularWeight: 328.28618

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=NC=NC2=C1NC=N2)OC(=O)C3=NC=CN=C3N

Isomeric SMILES

C[C@@H](C(=O)NC1=NC=NC2=C1NC=N2)OC(=O)C3=NC=CN=C3N

InChI

InChI=1S/C13H12N8O3/c1-6(24-13(23)7-9(14)16-3-2-15-7)12(22)21-11-8-10(18-4-17-8)19-5-20-11/h2-6H,1H3,(H2,14,16)(H2,17,18,19,20,21,22)/t6-/m0/s1