2-azanyl-8-(4-butylphenyl)-9-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-3H-purin-6-one

Systemtic Name: 2-azanyl-8-(4-butylphenyl)-9-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-3H-purin-6-one Openeye Name: 2-amino-8-(4-butylphenyl)-9-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3H-purin-6-one CAS Name: 2-amino-8-(4-butylphenyl)-9-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-3H-purin-6-one IUPAC Name: 2-amino-8-(4-butylphenyl)-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purin-6-one Traditional Name: 2-amino-8-(4-butylphenyl)-9-(3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl)-3H-purin-6-one Formula: C20H25N5O5 MolecularWeight: 415.443

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C2=NC3=C(N2C4C(C(C(O4)CO)O)O)NC(=NC3=O)N

Isomeric SMILES

CCCCC1=CC=C(C=C1)C2=NC3=C(N2C4C(C(C(O4)CO)O)O)NC(=NC3=O)N

InChI

InChI=1S/C20H25N5O5/c1-2-3-4-10-5-7-11(8-6-10)16-22-13-17(23-20(21)24-18(13)29)25(16)19-15(28)14(27)12(9-26)30-19/h5-8,12,14-15,19,26-28H,2-4,9H2,1H3,(H3,21,23,24,29)