[(3aR,4R,6R,6aR)-4-(2-azanyl-6-methoxy-purin-9-yl)-2,2-bis(oxidanylidene)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]dioxathiol-6-yl]methyl ethanoate

Systemtic Name: [(3aR,4R,6R,6aR)-4-(2-azanyl-6-methoxy-purin-9-yl)-2,2-bis(oxidanylidene)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]dioxathiol-6-yl]methyl ethanoate Openeye Name: [(3aR,4R,6R,6aR)-4-(2-amino-6-methoxy-purin-9-yl)-2,2-dioxo-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]dioxathiol-6-yl]methyl acetate CAS Name: acetic acid [(3aR,4R,6R,6aR)-4-(2-amino-6-methoxy-9-purinyl)-2,2-dioxo-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]dioxathiol-6-yl]methyl ester IUPAC Name: [(3aR,4R,6R,6aR)-4-(2-amino-6-methoxypurin-9-yl)-2,2-dioxo-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]dioxathiol-6-yl]methyl acetate Traditional Name: acetic acid [(3aR,4R,6R,6aR)-4-(2-amino-6-methoxy-purin-9-yl)-2,2-diketo-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]dioxathiol-6-yl]methyl ester Formula: C13H15N5O8S MolecularWeight: 401.3519

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1C2C(C(O1)N3C=NC4=C3N=C(N=C4OC)N)OS(=O)(=O)O2

Isomeric SMILES

CC(=O)OC[C@@H]1[C@@H]2[C@H]([C@@H](O1)N3C=NC4=C3N=C(N=C4OC)N)OS(=O)(=O)O2

InChI

InChI=1S/C13H15N5O8S/c1-5(19)23-3-6-8-9(26-27(20,21)25-8)12(24-6)18-4-15-7-10(18)16-13(14)17-11(7)22-2/h4,6,8-9,12H,3H2,1-2H3,(H2,14,16,17)/t6-,8-,9-,12-/m1/s1