[(3S)-3,4-diacetyloxy-5-(2-azanyl-6-sulfinamoyl-purin-9-yl)oxolan-2-yl]methyl ethanoate

Systemtic Name: [(3S)-3,4-diacetyloxy-5-(2-azanyl-6-sulfinamoyl-purin-9-yl)oxolan-2-yl]methyl ethanoate Openeye Name: [(3S)-3,4-diacetoxy-5-(2-amino-6-sulfinamoyl-purin-9-yl)tetrahydrofuran-2-yl]methyl acetate CAS Name: acetic acid [(3S)-3,4-diacetyloxy-5-(2-amino-6-sulfinamoyl-9-purinyl)-2-oxolanyl]methyl ester IUPAC Name: [(3S)-3,4-diacetyloxy-5-(2-amino-6-sulfinamoylpurin-9-yl)oxolan-2-yl]methyl acetate Traditional Name: acetic acid [(3S)-3,4-diacetoxy-5-(2-amino-6-sulfinamoyl-purin-9-yl)tetrahydrofuran-2-yl]methyl ester Formula: C16H20N6O8S MolecularWeight: 456.4304

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1C(C(C(O1)N2C=NC3=C2N=C(N=C3S(=O)N)N)OC(=O)C)OC(=O)C

Isomeric SMILES

CC(=O)OCC1[C@@H](C(C(O1)N2C=NC3=C2N=C(N=C3S(=O)N)N)OC(=O)C)OC(=O)C

InChI

InChI=1S/C16H20N6O8S/c1-6(23)27-4-9-11(28-7(2)24)12(29-8(3)25)15(30-9)22-5-19-10-13(22)20-16(17)21-14(10)31(18)26/h5,9,11-12,15H,4,18H2,1-3H3,(H2,17,20,21)/t9?,11-,12?,15?,31?/m0/s1