[4,5-diacetyloxy-6-[[2-methylsulfanyl-4-oxidanylidene-5-(3-oxidanylidenebutan-2-ylideneamino)-1H-pyrimidin-6-yl]amino]oxan-3-yl] ethanoate

Systemtic Name: [4,5-diacetyloxy-6-[[2-methylsulfanyl-4-oxidanylidene-5-(3-oxidanylidenebutan-2-ylideneamino)-1H-pyrimidin-6-yl]amino]oxan-3-yl] ethanoate Openeye Name: [4,5-diacetoxy-6-[[5-[(1-methyl-2-oxo-propylidene)amino]-2-methylsulfanyl-4-oxo-1H-pyrimidin-6-yl]amino]tetrahydropyran-3-yl] acetate CAS Name: acetic acid [4,5-diacetyloxy-6-[[2-(methylthio)-4-oxo-5-(3-oxobutan-2-ylideneamino)-1H-pyrimidin-6-yl]amino]-3-oxanyl] ester IUPAC Name: [4,5-diacetyloxy-6-[[2-methylsulfanyl-4-oxo-5-(3-oxobutan-2-ylideneamino)-1H-pyrimidin-6-yl]amino]oxan-3-yl] acetate Traditional Name: acetic acid [4,5-diacetoxy-6-[[4-keto-5-[(2-keto-1-methyl-propylidene)amino]-2-(methylthio)-1H-pyrimidin-6-yl]amino]tetrahydropyran-3-yl] ester Formula: C20H26N4O9S MolecularWeight: 498.50684

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NC1=C(NC(=NC1=O)SC)NC2C(C(C(CO2)OC(=O)C)OC(=O)C)OC(=O)C)C(=O)C

Isomeric SMILES

CC(=NC1=C(NC(=NC1=O)SC)NC2C(C(C(CO2)OC(=O)C)OC(=O)C)OC(=O)C)C(=O)C

InChI

InChI=1S/C20H26N4O9S/c1-8(9(2)25)21-14-17(23-20(34-6)24-18(14)29)22-19-16(33-12(5)28)15(32-11(4)27)13(7-30-19)31-10(3)26/h13,15-16,19H,7H2,1-6H3,(H2,22,23,24,29)