methyl (2R)-2-[2-[(4-azanyl-6-methyl-5-oxidanylidene-1,2,4-triazin-3-yl)sulfanyl]ethanoylamino]-3-phenyl-propanoate

Systemtic Name: methyl (2R)-2-[2-[(4-azanyl-6-methyl-5-oxidanylidene-1,2,4-triazin-3-yl)sulfanyl]ethanoylamino]-3-phenyl-propanoate Openeye Name: methyl (2R)-2-[[2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]acetyl]amino]-3-phenyl-propanoate CAS Name: (2R)-2-[[2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)thio]-1-oxoethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2R)-2-[[2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]acetyl]amino]-3-phenylpropanoate Traditional Name: (2R)-2-[[2-[(4-amino-5-keto-6-methyl-1,2,4-triazin-3-yl)thio]acetyl]amino]-3-phenyl-propionic acid methyl ester Formula: C16H19N5O4S MolecularWeight: 377.41816

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N(C1=O)N)SCC(=O)NC(CC2=CC=CC=C2)C(=O)OC

Isomeric SMILES

CC1=NN=C(N(C1=O)N)SCC(=O)N[C@H](CC2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C16H19N5O4S/c1-10-14(23)21(17)16(20-19-10)26-9-13(22)18-12(15(24)25-2)8-11-6-4-3-5-7-11/h3-7,12H,8-9,17H2,1-2H3,(H,18,22)/t12-/m1/s1