2-[[5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]-oxidanyl-methyl]but-3-enamide

Systemtic Name: 2-[[5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]-oxidanyl-methyl]but-3-enamide Openeye Name: 2-[[5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]-hydroxy-methyl]but-3-enamide CAS Name: 2-[[5-(6-aminopurin-9-yl)-3,4-dihydroxy-2-oxolanyl]-hydroxymethyl]-3-butenamide IUPAC Name: 2-[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]-hydroxymethyl]but-3-enamide Traditional Name: 2-[(5-adenin-9-yl-3,4-dihydroxy-tetrahydrofuran-2-yl)-hydroxy-methyl]but-3-enamide Formula: C14H18N6O5 MolecularWeight: 350.32992

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Descriptors Computed from Structure

Canonical SMILES:

C=CC(C(C1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)O)O)C(=O)N

Isomeric SMILES

C=CC(C(C1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)O)O)C(=O)N

InChI

InChI=1S/C14H18N6O5/c1-2-5(12(16)24)7(21)10-8(22)9(23)14(25-10)20-4-19-6-11(15)17-3-18-13(6)20/h2-5,7-10,14,21-23H,1H2,(H2,16,24)(H2,15,17,18)