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

Systemtic Name: methyl 2-[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-4-oxidanylidene-1H-pyrimidin-6-yl]ethanoate Openeye Name: methyl 2-[2-(2-amino-2-oxo-ethyl)sulfanyl-4-oxo-1H-pyrimidin-6-yl]acetate CAS Name: 2-[2-[(2-amino-2-oxoethyl)thio]-4-oxo-1H-pyrimidin-6-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-(2-amino-2-oxoethyl)sulfanyl-4-oxo-1H-pyrimidin-6-yl]acetate Traditional Name: 2-[2-[(2-amino-2-keto-ethyl)thio]-4-keto-1H-pyrimidin-6-yl]acetic acid methyl ester Formula: C9H11N3O4S MolecularWeight: 257.26634

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=CC(=O)N=C(N1)SCC(=O)N

Isomeric SMILES

COC(=O)CC1=CC(=O)N=C(N1)SCC(=O)N

InChI

InChI=1S/C9H11N3O4S/c1-16-8(15)3-5-2-7(14)12-9(11-5)17-4-6(10)13/h2H,3-4H2,1H3,(H2,10,13)(H,11,12,14)