3-[6-(3-methylbut-2-enylamino)purin-9-yl]propanenitrile

Systemtic Name: 3-[6-(3-methylbut-2-enylamino)purin-9-yl]propanenitrile Openeye Name: 3-[6-(3-methylbut-2-enylamino)purin-9-yl]propanenitrile CAS Name: 3-[6-(3-methylbut-2-enylamino)-9-purinyl]propanenitrile IUPAC Name: 3-[6-(3-methylbut-2-enylamino)purin-9-yl]propanenitrile Traditional Name: 3-[6-(3-methylbut-2-enylamino)purin-9-yl]propionitrile Formula: C13H16N6 MolecularWeight: 256.30634

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N6/c1-10(2)4-6-15-12-11-13(17-8-16-12)19(9-18-11)7-3-5-14/h4,8-9H,3,6-7H2,1-2H3,(H,15,16,17)