7-[6-azanyl-9-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-2-yl]sulfanylheptanenitrile

Systemtic Name: 7-[6-azanyl-9-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-2-yl]sulfanylheptanenitrile Openeye Name: 7-[6-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]purin-2-yl]sulfanylheptanenitrile CAS Name: 7-[[6-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-2-purinyl]thio]heptanenitrile IUPAC Name: 7-[6-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-2-yl]sulfanylheptanenitrile Traditional Name: 7-[[6-amino-9-(3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl)purin-2-yl]thio]enanthonitrile Formula: C17H24N6O4S MolecularWeight: 408.47526

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N6O4S/c18-6-4-2-1-3-5-7-28-17-21-14(19)11-15(22-17)23(9-20-11)16-13(26)12(25)10(8-24)27-16/h9-10,12-13,16,24-26H,1-5,7-8H2,(H2,19,21,22)