9-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-6-(phenethylamino)-1H-purin-2-one

Systemtic Name: 9-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-6-(phenethylamino)-1H-purin-2-one Openeye Name: 9-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-6-(phenethylamino)-1H-purin-2-one CAS Name: 9-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-6-(phenethylamino)-1H-purin-2-one IUPAC Name: 9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-(phenethylamino)-1H-purin-2-one Traditional Name: 9-(3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl)-6-(phenethylamino)-1H-purin-2-one Formula: C18H21N5O5 MolecularWeight: 387.38984

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC2=C3C(=NC(=O)N2)N(C=N3)C4C(C(C(O4)CO)O)O

Isomeric SMILES

C1=CC=C(C=C1)CCNC2=C3C(=NC(=O)N2)N(C=N3)C4C(C(C(O4)CO)O)O

InChI

InChI=1S/C18H21N5O5/c24-8-11-13(25)14(26)17(28-11)23-9-20-12-15(21-18(27)22-16(12)23)19-7-6-10-4-2-1-3-5-10/h1-5,9,11,13-14,17,24-26H,6-8H2,(H2,19,21,22,27)