[2-[[1,1-bis(oxidanylidene)thiolan-3-yl]-propyl-amino]-2-oxidanylidene-ethyl] 3-azanylpyrazine-2-carboxylate

Systemtic Name: [2-[[1,1-bis(oxidanylidene)thiolan-3-yl]-propyl-amino]-2-oxidanylidene-ethyl] 3-azanylpyrazine-2-carboxylate Openeye Name: [2-[(1,1-dioxothiolan-3-yl)-propyl-amino]-2-oxo-ethyl] 3-aminopyrazine-2-carboxylate CAS Name: 3-amino-2-pyrazinecarboxylic acid [2-[(1,1-dioxo-3-thiolanyl)-propylamino]-2-oxoethyl] ester IUPAC Name: [2-[(1,1-dioxothiolan-3-yl)-propylamino]-2-oxoethyl] 3-aminopyrazine-2-carboxylate Traditional Name: 3-aminopyrazinic acid [2-[(1,1-diketothiolan-3-yl)-propyl-amino]-2-keto-ethyl] ester Formula: C14H20N4O5S MolecularWeight: 356.3974

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(C1CCS(=O)(=O)C1)C(=O)COC(=O)C2=NC=CN=C2N

Isomeric SMILES

CCCN(C1CCS(=O)(=O)C1)C(=O)COC(=O)C2=NC=CN=C2N

InChI

InChI=1S/C14H20N4O5S/c1-2-6-18(10-3-7-24(21,22)9-10)11(19)8-23-14(20)12-13(15)17-5-4-16-12/h4-5,10H,2-3,6-9H2,1H3,(H2,15,17)