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

Systemtic Name: [4,5-diacetyloxy-6-[[1-methyl-2-methylsulfanyl-6-oxidanylidene-5-(3-oxidanylidenebutan-2-ylideneamino)pyrimidin-4-yl]amino]oxan-3-yl] ethanoate Openeye Name: [4,5-diacetoxy-6-[[1-methyl-5-[(1-methyl-2-oxo-propylidene)amino]-2-methylsulfanyl-6-oxo-pyrimidin-4-yl]amino]tetrahydropyran-3-yl] acetate CAS Name: acetic acid [4,5-diacetyloxy-6-[[1-methyl-2-(methylthio)-6-oxo-5-(3-oxobutan-2-ylideneamino)-4-pyrimidinyl]amino]-3-oxanyl] ester IUPAC Name: [4,5-diacetyloxy-6-[[1-methyl-2-methylsulfanyl-6-oxo-5-(3-oxobutan-2-ylideneamino)pyrimidin-4-yl]amino]oxan-3-yl] acetate Traditional Name: acetic acid [4,5-diacetoxy-6-[[6-keto-5-[(2-keto-1-methyl-propylidene)amino]-1-methyl-2-(methylthio)pyrimidin-4-yl]amino]tetrahydropyran-3-yl] ester Formula: C21H28N4O9S MolecularWeight: 512.53342

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NC1=C(N=C(N(C1=O)C)SC)NC2C(C(C(CO2)OC(=O)C)OC(=O)C)OC(=O)C)C(=O)C

Isomeric SMILES

CC(=NC1=C(N=C(N(C1=O)C)SC)NC2C(C(C(CO2)OC(=O)C)OC(=O)C)OC(=O)C)C(=O)C

InChI

InChI=1S/C21H28N4O9S/c1-9(10(2)26)22-15-18(24-21(35-7)25(6)20(15)30)23-19-17(34-13(5)29)16(33-12(4)28)14(8-31-19)32-11(3)27/h14,16-17,19,23H,8H2,1-7H3