methyl 2-[2-[(4-azanyl-6-methylidene-5-oxidanylidene-1,2,4-triazin-4-ium-3-yl)sulfanyl]ethanoylamino]-4-methyl-pentanoate

Systemtic Name: methyl 2-[2-[(4-azanyl-6-methylidene-5-oxidanylidene-1,2,4-triazin-4-ium-3-yl)sulfanyl]ethanoylamino]-4-methyl-pentanoate Openeye Name: methyl 2-[[2-[(4-amino-6-methylene-5-oxo-1,2,4-triazin-4-ium-3-yl)sulfanyl]acetyl]amino]-4-methyl-pentanoate CAS Name: 2-[[2-[(4-amino-6-methylene-5-oxo-1,2,4-triazin-4-ium-3-yl)thio]-1-oxoethyl]amino]-4-methylpentanoic acid methyl ester IUPAC Name: methyl 2-[[2-[(4-amino-6-methylidene-5-oxo-1,2,4-triazin-4-ium-3-yl)sulfanyl]acetyl]amino]-4-methylpentanoate Traditional Name: 2-[[2-[(4-amino-5-keto-6-methylene-1,2,4-triazin-4-ium-3-yl)thio]acetyl]amino]-4-methyl-valeric acid methyl ester Formula: C13H20N5O4S+ MolecularWeight: 342.394

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC)NC(=O)CSC1=[N+](C(=O)C(=C)N=N1)N

Isomeric SMILES

CC(C)CC(C(=O)OC)NC(=O)CSC1=[N+](C(=O)C(=C)N=N1)N

InChI

InChI=1S/C13H19N5O4S/c1-7(2)5-9(12(21)22-4)15-10(19)6-23-13-17-16-8(3)11(20)18(13)14/h7,9H,3,5-6H2,1-2,4H3,(H2-,14,15,16,19)/p+1