methyl (2S)-2-[2-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanoylamino]-2-phenyl-ethanoate

Systemtic Name: methyl (2S)-2-[2-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanoylamino]-2-phenyl-ethanoate Openeye Name: methyl (2S)-2-[[2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]-2-phenyl-acetate CAS Name: (2S)-2-[[2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)thio]-1-oxoethyl]amino]-2-phenylacetic acid methyl ester IUPAC Name: methyl (2S)-2-[[2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]-2-phenylacetate Traditional Name: (2S)-2-[[2-[(6-amino-4-keto-1H-pyrimidin-2-yl)thio]acetyl]amino]-2-phenyl-acetic acid methyl ester Formula: C15H16N4O4S MolecularWeight: 348.37694

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1=CC=CC=C1)NC(=O)CSC2=NC(=O)C=C(N2)N

Isomeric SMILES

COC(=O)[C@H](C1=CC=CC=C1)NC(=O)CSC2=NC(=O)C=C(N2)N

InChI

InChI=1S/C15H16N4O4S/c1-23-14(22)13(9-5-3-2-4-6-9)18-12(21)8-24-15-17-10(16)7-11(20)19-15/h2-7,13H,8H2,1H3,(H,18,21)(H3,16,17,19,20)/t13-/m0/s1