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

Systemtic Name: propan-2-yl 3-[3-(3-azanylpropylsulfanyl)-5-oxidanylidene-2H-1,2,4-triazin-6-yl]propanoate Openeye Name: isopropyl 3-[3-(3-aminopropylsulfanyl)-5-oxo-2H-1,2,4-triazin-6-yl]propanoate CAS Name: 3-[3-(3-aminopropylthio)-5-oxo-2H-1,2,4-triazin-6-yl]propanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-[3-(3-aminopropylsulfanyl)-5-oxo-2H-1,2,4-triazin-6-yl]propanoate Traditional Name: 3-[3-(3-aminopropylthio)-5-keto-2H-1,2,4-triazin-6-yl]propionic acid isopropyl ester Formula: C12H20N4O3S MolecularWeight: 300.3772

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H20N4O3S/c1-8(2)19-10(17)5-4-9-11(18)14-12(16-15-9)20-7-3-6-13/h8H,3-7,13H2,1-2H3,(H,14,16,18)