propan-2-yl 3-[3-(2-azanylethylsulfanyl)-5-oxidanylidene-2H-1,2,4-triazin-6-yl]propanoate

Systemtic Name: propan-2-yl 3-[3-(2-azanylethylsulfanyl)-5-oxidanylidene-2H-1,2,4-triazin-6-yl]propanoate Openeye Name: isopropyl 3-[3-(2-aminoethylsulfanyl)-5-oxo-2H-1,2,4-triazin-6-yl]propanoate CAS Name: 3-[3-(2-aminoethylthio)-5-oxo-2H-1,2,4-triazin-6-yl]propanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-[3-(2-aminoethylsulfanyl)-5-oxo-2H-1,2,4-triazin-6-yl]propanoate Traditional Name: 3-[3-(2-aminoethylthio)-5-keto-2H-1,2,4-triazin-6-yl]propionic acid isopropyl ester Formula: C11H18N4O3S MolecularWeight: 286.35062

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)CCC1=NNC(=NC1=O)SCCN

Isomeric SMILES

CC(C)OC(=O)CCC1=NNC(=NC1=O)SCCN

InChI

InChI=1S/C11H18N4O3S/c1-7(2)18-9(16)4-3-8-10(17)13-11(15-14-8)19-6-5-12/h7H,3-6,12H2,1-2H3,(H,13,15,17)