[4,5-diacetyloxy-6-[(5-acetyloxy-6-methyl-2-methylsulfanyl-7-oxidanylidene-pyrano[2,3-d]pyrimidin-4-yl)amino]oxan-3-yl] ethanoate

Systemtic Name: [4,5-diacetyloxy-6-[(5-acetyloxy-6-methyl-2-methylsulfanyl-7-oxidanylidene-pyrano[2,3-d]pyrimidin-4-yl)amino]oxan-3-yl] ethanoate Openeye Name: [4,5-diacetoxy-6-[(5-acetoxy-6-methyl-2-methylsulfanyl-7-oxo-pyrano[2,3-d]pyrimidin-4-yl)amino]tetrahydropyran-3-yl] acetate CAS Name: acetic acid [4,5-diacetyloxy-6-[[5-acetyloxy-6-methyl-2-(methylthio)-7-oxo-4-pyrano[2,3-d]pyrimidinyl]amino]-3-oxanyl] ester IUPAC Name: [4,5-diacetyloxy-6-[(5-acetyloxy-6-methyl-2-methylsulfanyl-7-oxopyrano[2,3-d]pyrimidin-4-yl)amino]oxan-3-yl] acetate Traditional Name: acetic acid [4,5-diacetoxy-6-[[5-acetoxy-7-keto-6-methyl-2-(methylthio)pyrano[2,3-d]pyrimidin-4-yl]amino]tetrahydropyran-3-yl] ester Formula: C22H25N3O11S MolecularWeight: 539.5124

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N=C(N=C2OC1=O)SC)NC3C(C(C(CO3)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

Isomeric SMILES

CC1=C(C2=C(N=C(N=C2OC1=O)SC)NC3C(C(C(CO3)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C22H25N3O11S/c1-8-15(33-10(3)27)14-18(24-22(37-6)25-19(14)36-21(8)30)23-20-17(35-12(5)29)16(34-11(4)28)13(7-31-20)32-9(2)26/h13,16-17,20H,7H2,1-6H3,(H,23,24,25)