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

Systemtic Name: 9-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-8-(phenethylamino)-5H-purin-6-one Openeye Name: 9-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-8-(phenethylamino)-5H-purin-6-one CAS Name: 9-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-8-(phenethylamino)-5H-purin-6-one IUPAC Name: 9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-8-(phenethylamino)-5H-purin-6-one Traditional Name: 9-(3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl)-8-(phenethylamino)-5H-purin-6-one Formula: C18H21N5O5 MolecularWeight: 387.38984

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC2=NC3C(=NC=NC3=O)N2C4C(C(C(O4)CO)O)O

Isomeric SMILES

C1=CC=C(C=C1)CCNC2=NC3C(=NC=NC3=O)N2C4C(C(C(O4)CO)O)O

InChI

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