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

Systemtic Name: 2-azanyl-8-(hexylamino)-9-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-3H-purin-6-one Openeye Name: 2-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-8-(hexylamino)-3H-purin-6-one CAS Name: 2-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-8-(hexylamino)-3H-purin-6-one IUPAC Name: 2-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-8-(hexylamino)-3H-purin-6-one Traditional Name: 2-amino-9-(3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl)-8-(hexylamino)-3H-purin-6-one Formula: C16H26N6O5 MolecularWeight: 382.41484

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC1=NC2=C(N1C3C(C(C(O3)CO)O)O)NC(=NC2=O)N

Isomeric SMILES

CCCCCCNC1=NC2=C(N1C3C(C(C(O3)CO)O)O)NC(=NC2=O)N

InChI

InChI=1S/C16H26N6O5/c1-2-3-4-5-6-18-16-19-9-12(20-15(17)21-13(9)26)22(16)14-11(25)10(24)8(7-23)27-14/h8,10-11,14,23-25H,2-7H2,1H3,(H,18,19)(H3,17,20,21,26)