3-[2-(2-hydroxyethylamino)-6-prop-2-enoxy-purin-9-yl]propanenitrile

Systemtic Name: 3-[2-(2-hydroxyethylamino)-6-prop-2-enoxy-purin-9-yl]propanenitrile Openeye Name: 3-[6-allyloxy-2-(2-hydroxyethylamino)purin-9-yl]propanenitrile CAS Name: 3-[2-(2-hydroxyethylamino)-6-prop-2-enoxy-9-purinyl]propanenitrile IUPAC Name: 3-[2-(2-hydroxyethylamino)-6-prop-2-enoxypurin-9-yl]propanenitrile Traditional Name: 3-[6-allyloxy-2-(2-hydroxyethylamino)purin-9-yl]propionitrile Formula: C13H16N6O2 MolecularWeight: 288.30514

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC1=NC(=NC2=C1N=CN2CCC#N)NCCO

Isomeric SMILES

C=CCOC1=NC(=NC2=C1N=CN2CCC#N)NCCO

InChI

InChI=1S/C13H16N6O2/c1-2-8-21-12-10-11(17-13(18-12)15-5-7-20)19(9-16-10)6-3-4-14/h2,9,20H,1,3,5-8H2,(H,15,17,18)