2-azanyl-9-[4-oxidanyl-5-(1-oxidanyl-2-oxidanylidene-tridecyl)oxolan-2-yl]-3H-purin-6-one

Systemtic Name: 2-azanyl-9-[4-oxidanyl-5-(1-oxidanyl-2-oxidanylidene-tridecyl)oxolan-2-yl]-3H-purin-6-one Openeye Name: 2-amino-9-[4-hydroxy-5-(1-hydroxy-2-oxo-tridecyl)tetrahydrofuran-2-yl]-3H-purin-6-one CAS Name: 2-amino-9-[4-hydroxy-5-(1-hydroxy-2-oxotridecyl)-2-oxolanyl]-3H-purin-6-one IUPAC Name: 2-amino-9-[4-hydroxy-5-(1-hydroxy-2-oxotridecyl)oxolan-2-yl]-3H-purin-6-one Traditional Name: 2-amino-9-[4-hydroxy-5-(1-hydroxy-2-keto-tridecyl)tetrahydrofuran-2-yl]-3H-purin-6-one Formula: C22H35N5O5 MolecularWeight: 449.5438

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)C(C1C(CC(O1)N2C=NC3=C2NC(=NC3=O)N)O)O

Isomeric SMILES

CCCCCCCCCCCC(=O)C(C1C(CC(O1)N2C=NC3=C2NC(=NC3=O)N)O)O

InChI

InChI=1S/C22H35N5O5/c1-2-3-4-5-6-7-8-9-10-11-14(28)18(30)19-15(29)12-16(32-19)27-13-24-17-20(27)25-22(23)26-21(17)31/h13,15-16,18-19,29-30H,2-12H2,1H3,(H3,23,25,26,31)