ethyl 5-azanyl-3-chloranyl-6-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]pyrazine-2-carboxylate

Systemtic Name: ethyl 5-azanyl-3-chloranyl-6-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]pyrazine-2-carboxylate Openeye Name: ethyl 5-amino-3-chloro-6-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrazine-2-carboxylate CAS Name: 5-amino-3-chloro-6-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-2-pyrazinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-3-chloro-6-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrazine-2-carboxylate Traditional Name: 5-amino-3-chloro-6-(3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl)pyrazinic acid ethyl ester Formula: C12H16ClN3O6 MolecularWeight: 333.72494

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C(=N1)C2C(C(C(O2)CO)O)O)N)Cl

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=N1)C2C(C(C(O2)CO)O)O)N)Cl

InChI

InChI=1S/C12H16ClN3O6/c1-2-21-12(20)6-10(13)16-11(14)5(15-6)9-8(19)7(18)4(3-17)22-9/h4,7-9,17-19H,2-3H2,1H3,(H2,14,16)