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

Systemtic Name: 3-[6-azanyl-9-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-2-yl]prop-2-ynenitrile Openeye Name: 3-[6-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]purin-2-yl]prop-2-ynenitrile CAS Name: 3-[6-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-2-purinyl]-2-propynenitrile IUPAC Name: 3-[6-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-2-yl]prop-2-ynenitrile Traditional Name: 3-[6-amino-9-(3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl)purin-2-yl]propiolonitrile Formula: C13H12N6O4 MolecularWeight: 316.27218

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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#CC#N

Isomeric SMILES

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

InChI

InChI=1S/C13H12N6O4/c14-3-1-2-7-17-11(15)8-12(18-7)19(5-16-8)13-10(22)9(21)6(4-20)23-13/h5-6,9-10,13,20-22H,4H2,(H2,15,17,18)