methyl 2-[2-[2-[(2-chloranylpyridin-3-yl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-1H-pyrimidin-6-yl]ethanoate

Systemtic Name: methyl 2-[2-[2-[(2-chloranylpyridin-3-yl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-1H-pyrimidin-6-yl]ethanoate Openeye Name: methyl 2-[2-[2-[(2-chloro-3-pyridyl)amino]-2-oxo-ethyl]sulfanyl-4-oxo-1H-pyrimidin-6-yl]acetate CAS Name: 2-[2-[[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl]thio]-4-oxo-1H-pyrimidin-6-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-[2-[(2-chloropyridin-3-yl)amino]-2-oxoethyl]sulfanyl-4-oxo-1H-pyrimidin-6-yl]acetate Traditional Name: 2-[2-[[2-[(2-chloro-3-pyridyl)amino]-2-keto-ethyl]thio]-4-keto-1H-pyrimidin-6-yl]acetic acid methyl ester Formula: C14H13ClN4O4S MolecularWeight: 368.79542

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=CC(=O)N=C(N1)SCC(=O)NC2=C(N=CC=C2)Cl

Isomeric SMILES

COC(=O)CC1=CC(=O)N=C(N1)SCC(=O)NC2=C(N=CC=C2)Cl

InChI

InChI=1S/C14H13ClN4O4S/c1-23-12(22)6-8-5-10(20)19-14(17-8)24-7-11(21)18-9-3-2-4-16-13(9)15/h2-5H,6-7H2,1H3,(H,18,21)(H,17,19,20)