2-azanyl-9-[3,4-diethanoyl-3,4-bis(oxidanyl)-5-(1-oxidanyl-2-oxidanylidene-propyl)oxolan-2-yl]-7-prop-2-enyl-8-sulfanylidene-3H-purin-6-one

Systemtic Name: 2-azanyl-9-[3,4-diethanoyl-3,4-bis(oxidanyl)-5-(1-oxidanyl-2-oxidanylidene-propyl)oxolan-2-yl]-7-prop-2-enyl-8-sulfanylidene-3H-purin-6-one Openeye Name: 7-allyl-2-amino-9-[3,4-diacetyl-3,4-dihydroxy-5-(1-hydroxy-2-oxo-propyl)tetrahydrofuran-2-yl]-8-thioxo-3H-purin-6-one CAS Name: 2-amino-9-[3,4-diacetyl-3,4-dihydroxy-5-(1-hydroxy-2-oxopropyl)-2-oxolanyl]-7-prop-2-enyl-8-sulfanylidene-3H-purin-6-one IUPAC Name: 2-amino-9-[3,4-diacetyl-3,4-dihydroxy-5-(1-hydroxy-2-oxopropyl)oxolan-2-yl]-7-prop-2-enyl-8-sulfanylidene-3H-purin-6-one Traditional Name: 7-allyl-2-amino-9-[3,4-diacetyl-3,4-dihydroxy-5-(1-hydroxy-2-keto-propyl)tetrahydrofuran-2-yl]-8-thioxo-3H-purin-6-one Formula: C19H23N5O8S MolecularWeight: 481.47962

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C1C(C(C(O1)N2C3=C(C(=O)N=C(N3)N)N(C2=S)CC=C)(C(=O)C)O)(C(=O)C)O)O

Isomeric SMILES

CC(=O)C(C1C(C(C(O1)N2C3=C(C(=O)N=C(N3)N)N(C2=S)CC=C)(C(=O)C)O)(C(=O)C)O)O

InChI

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