[(3R,4R)-3,4-diacetyloxy-5-(2-azanyl-6-oxidanylidene-7-prop-2-enyl-8-sulfanylidene-3H-purin-9-yl)oxolan-2-yl]methyl ethanoate

Systemtic Name: [(3R,4R)-3,4-diacetyloxy-5-(2-azanyl-6-oxidanylidene-7-prop-2-enyl-8-sulfanylidene-3H-purin-9-yl)oxolan-2-yl]methyl ethanoate Openeye Name: [(3R,4R)-3,4-diacetoxy-5-(7-allyl-2-amino-6-oxo-8-thioxo-3H-purin-9-yl)tetrahydrofuran-2-yl]methyl acetate CAS Name: acetic acid [(3R,4R)-3,4-diacetyloxy-5-(2-amino-6-oxo-7-prop-2-enyl-8-sulfanylidene-3H-purin-9-yl)-2-oxolanyl]methyl ester IUPAC Name: [(3R,4R)-3,4-diacetyloxy-5-(2-amino-6-oxo-7-prop-2-enyl-8-sulfanylidene-3H-purin-9-yl)oxolan-2-yl]methyl acetate Traditional Name: acetic acid [(3R,4R)-3,4-diacetoxy-5-(7-allyl-2-amino-6-keto-8-thioxo-3H-purin-9-yl)tetrahydrofuran-2-yl]methyl ester Formula: C19H23N5O8S MolecularWeight: 481.47962

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1C(C(C(O1)N2C3=C(C(=O)N=C(N3)N)N(C2=S)CC=C)OC(=O)C)OC(=O)C

Isomeric SMILES

CC(=O)OCC1[C@H]([C@H](C(O1)N2C3=C(C(=O)N=C(N3)N)N(C2=S)CC=C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C19H23N5O8S/c1-5-6-23-12-15(21-18(20)22-16(12)28)24(19(23)33)17-14(31-10(4)27)13(30-9(3)26)11(32-17)7-29-8(2)25/h5,11,13-14,17H,1,6-7H2,2-4H3,(H3,20,21,22,28)/t11?,13-,14-,17?/m1/s1