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

Systemtic Name: methyl 2-[4-oxidanylidene-2-[2-oxidanylidene-2-[2-(phenylmethylsulfanyl)ethylamino]ethyl]sulfanyl-1H-pyrimidin-6-yl]ethanoate Openeye Name: methyl 2-[2-[2-(2-benzylsulfanylethylamino)-2-oxo-ethyl]sulfanyl-4-oxo-1H-pyrimidin-6-yl]acetate CAS Name: 2-[4-oxo-2-[[2-oxo-2-[2-(phenylmethylthio)ethylamino]ethyl]thio]-1H-pyrimidin-6-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-[2-(2-benzylsulfanylethylamino)-2-oxoethyl]sulfanyl-4-oxo-1H-pyrimidin-6-yl]acetate Traditional Name: 2-[2-[[2-[2-(benzylthio)ethylamino]-2-keto-ethyl]thio]-4-keto-1H-pyrimidin-6-yl]acetic acid methyl ester Formula: C18H21N3O4S2 MolecularWeight: 407.50704

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=CC(=O)N=C(N1)SCC(=O)NCCSCC2=CC=CC=C2

Isomeric SMILES

COC(=O)CC1=CC(=O)N=C(N1)SCC(=O)NCCSCC2=CC=CC=C2

InChI

InChI=1S/C18H21N3O4S2/c1-25-17(24)10-14-9-15(22)21-18(20-14)27-12-16(23)19-7-8-26-11-13-5-3-2-4-6-13/h2-6,9H,7-8,10-12H2,1H3,(H,19,23)(H,20,21,22)