methyl 2-[2-[2-[2-cyanoethyl(furan-2-ylmethyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-1H-pyrimidin-6-yl]ethanoate

Systemtic Name: methyl 2-[2-[2-[2-cyanoethyl(furan-2-ylmethyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-1H-pyrimidin-6-yl]ethanoate Openeye Name: methyl 2-[2-[2-[2-cyanoethyl(2-furylmethyl)amino]-2-oxo-ethyl]sulfanyl-4-oxo-1H-pyrimidin-6-yl]acetate CAS Name: 2-[2-[[2-[2-cyanoethyl(2-furanylmethyl)amino]-2-oxoethyl]thio]-4-oxo-1H-pyrimidin-6-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-[2-[2-cyanoethyl(furan-2-ylmethyl)amino]-2-oxoethyl]sulfanyl-4-oxo-1H-pyrimidin-6-yl]acetate Traditional Name: 2-[2-[[2-[2-cyanoethyl(2-furfuryl)amino]-2-keto-ethyl]thio]-4-keto-1H-pyrimidin-6-yl]acetic acid methyl ester Formula: C17H18N4O5S MolecularWeight: 390.41362

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=CC(=O)N=C(N1)SCC(=O)N(CCC#N)CC2=CC=CO2

Isomeric SMILES

COC(=O)CC1=CC(=O)N=C(N1)SCC(=O)N(CCC#N)CC2=CC=CO2

InChI

InChI=1S/C17H18N4O5S/c1-25-16(24)9-12-8-14(22)20-17(19-12)27-11-15(23)21(6-3-5-18)10-13-4-2-7-26-13/h2,4,7-8H,3,6,9-11H2,1H3,(H,19,20,22)