3-[6-[[(E)-3-methyl-4-oxidanyl-but-2-enyl]amino]purin-9-yl]propanenitrile

Systemtic Name: 3-[6-[[(E)-3-methyl-4-oxidanyl-but-2-enyl]amino]purin-9-yl]propanenitrile Openeye Name: 3-[6-[[(E)-4-hydroxy-3-methyl-but-2-enyl]amino]purin-9-yl]propanenitrile CAS Name: 3-[6-[[(E)-4-hydroxy-3-methylbut-2-enyl]amino]-9-purinyl]propanenitrile IUPAC Name: 3-[6-[[(E)-4-hydroxy-3-methylbut-2-enyl]amino]purin-9-yl]propanenitrile Traditional Name: 3-[6-[[(E)-4-hydroxy-3-methyl-but-2-enyl]amino]purin-9-yl]propionitrile Formula: C13H16N6O MolecularWeight: 272.30574

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCNC1=NC=NC2=C1N=CN2CCC#N)CO

Isomeric SMILES

C/C(=C\CNC1=NC=NC2=C1N=CN2CCC#N)/CO

InChI

InChI=1S/C13H16N6O/c1-10(7-20)3-5-15-12-11-13(17-8-16-12)19(9-18-11)6-2-4-14/h3,8-9,20H,2,5-7H2,1H3,(H,15,16,17)/b10-3+