[4,5-diacetyloxy-6-[(5-acetyloxy-6-ethyl-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-ethyl-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-ethyl-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-ethyl-2-(methylthio)-7-oxo-4-pyrano[2,3-d]pyrimidinyl]amino]-3-oxanyl] ester IUPAC Name: [4,5-diacetyloxy-6-[(5-acetyloxy-6-ethyl-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-6-ethyl-7-keto-2-(methylthio)pyrano[2,3-d]pyrimidin-4-yl]amino]tetrahydropyran-3-yl] ester Formula: C23H27N3O11S MolecularWeight: 553.53898

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=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

CCC1=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/C23H27N3O11S/c1-7-13-16(34-10(3)28)15-19(25-23(38-6)26-20(15)37-22(13)31)24-21-18(36-12(5)30)17(35-11(4)29)14(8-32-21)33-9(2)27/h14,17-18,21H,7-8H2,1-6H3,(H,24,25,26)