8-[6-azanyl-9-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-2-yl]oct-7-ynenitrile

Systemtic Name: 8-[6-azanyl-9-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-2-yl]oct-7-ynenitrile Openeye Name: 8-[6-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]purin-2-yl]oct-7-ynenitrile CAS Name: 8-[6-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-2-purinyl]-7-octynenitrile IUPAC Name: 8-[6-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-2-yl]oct-7-ynenitrile Traditional Name: 8-[6-amino-9-(3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl)purin-2-yl]oct-7-ynenitrile Formula: C18H22N6O4 MolecularWeight: 386.40508

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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#CCCCCCC#N

Isomeric SMILES

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

InChI

InChI=1S/C18H22N6O4/c19-8-6-4-2-1-3-5-7-12-22-16(20)13-17(23-12)24(10-21-13)18-15(27)14(26)11(9-25)28-18/h10-11,14-15,18,25-27H,1-4,6,9H2,(H2,20,22,23)