[2-(acetyloxymethyl)-3-(6-methyl-2-methylsulfanyl-4-oxidanylidene-pyrimidin-1-yl)-2-[(6-methyl-2-methylsulfanyl-4-oxidanylidene-pyrimidin-1-yl)methyl]propyl] ethanoate

Systemtic Name: [2-(acetyloxymethyl)-3-(6-methyl-2-methylsulfanyl-4-oxidanylidene-pyrimidin-1-yl)-2-[(6-methyl-2-methylsulfanyl-4-oxidanylidene-pyrimidin-1-yl)methyl]propyl] ethanoate Openeye Name: [2-(acetoxymethyl)-3-(6-methyl-2-methylsulfanyl-4-oxo-pyrimidin-1-yl)-2-[(6-methyl-2-methylsulfanyl-4-oxo-pyrimidin-1-yl)methyl]propyl] acetate CAS Name: acetic acid [2-(acetyloxymethyl)-3-[6-methyl-2-(methylthio)-4-oxo-1-pyrimidinyl]-2-[[6-methyl-2-(methylthio)-4-oxo-1-pyrimidinyl]methyl]propyl] ester IUPAC Name: [2-(acetyloxymethyl)-3-(6-methyl-2-methylsulfanyl-4-oxopyrimidin-1-yl)-2-[(6-methyl-2-methylsulfanyl-4-oxopyrimidin-1-yl)methyl]propyl] acetate Traditional Name: acetic acid [2-(acetoxymethyl)-3-[4-keto-6-methyl-2-(methylthio)pyrimidin-1-yl]-2-[[4-keto-6-methyl-2-(methylthio)pyrimidin-1-yl]methyl]propyl] ester Formula: C21H28N4O6S2 MolecularWeight: 496.60022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N=C(N1CC(CN2C(=CC(=O)N=C2SC)C)(COC(=O)C)COC(=O)C)SC

Isomeric SMILES

CC1=CC(=O)N=C(N1CC(CN2C(=CC(=O)N=C2SC)C)(COC(=O)C)COC(=O)C)SC

InChI

InChI=1S/C21H28N4O6S2/c1-13-7-17(28)22-19(32-5)24(13)9-21(11-30-15(3)26,12-31-16(4)27)10-25-14(2)8-18(29)23-20(25)33-6/h7-8H,9-12H2,1-6H3