S-[5-[5-bromanyl-6-(ethanoylsulfanylmethyl)-3-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]pentyl] ethanethioate

Systemtic Name: S-[5-[5-bromanyl-6-(ethanoylsulfanylmethyl)-3-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]pentyl] ethanethioate Openeye Name: S-[5-[6-(acetylsulfanylmethyl)-5-bromo-3-methyl-2,4-dioxo-pyrimidin-1-yl]pentyl] ethanethioate CAS Name: ethanethioic acid S-[5-[6-[(acetylthio)methyl]-5-bromo-3-methyl-2,4-dioxo-1-pyrimidinyl]pentyl] ester IUPAC Name: S-[5-[6-(acetylsulfanylmethyl)-5-bromo-3-methyl-2,4-dioxopyrimidin-1-yl]pentyl] ethanethioate Traditional Name: ethanethioic acid S-[5-[6-[(acetylthio)methyl]-5-bromo-2,4-diketo-3-methyl-pyrimidin-1-yl]pentyl] ester Formula: C15H21BrN2O4S2 MolecularWeight: 437.37224

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCCCCN1C(=C(C(=O)N(C1=O)C)Br)CSC(=O)C

Isomeric SMILES

CC(=O)SCCCCCN1C(=C(C(=O)N(C1=O)C)Br)CSC(=O)C

InChI

InChI=1S/C15H21BrN2O4S2/c1-10(19)23-8-6-4-5-7-18-12(9-24-11(2)20)13(16)14(21)17(3)15(18)22/h4-9H2,1-3H3