6-[6-azanyl-9-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-2-yl]hex-5-ynenitrile

Systemtic Name: 6-[6-azanyl-9-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-2-yl]hex-5-ynenitrile Openeye Name: 6-[6-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]purin-2-yl]hex-5-ynenitrile CAS Name: 6-[6-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-2-purinyl]-5-hexynenitrile IUPAC Name: 6-[6-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-2-yl]hex-5-ynenitrile Traditional Name: 6-[6-amino-9-(3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl)purin-2-yl]hex-5-ynenitrile Formula: C16H18N6O4 MolecularWeight: 358.35192

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1C3C(C(C(O3)CO)O)O)N=C(N=C2N)C#CCCCC#N

Isomeric SMILES

C1=NC2=C(N1C3C(C(C(O3)CO)O)O)N=C(N=C2N)C#CCCCC#N

InChI

InChI=1S/C16H18N6O4/c17-6-4-2-1-3-5-10-20-14(18)11-15(21-10)22(8-19-11)16-13(25)12(24)9(7-23)26-16/h8-9,12-13,16,23-25H,1-2,4,7H2,(H2,18,20,21)