3-[6-[(3-methyl-4-oxidanyl-butyl)amino]purin-9-yl]propanenitrile

Systemtic Name: 3-[6-[(3-methyl-4-oxidanyl-butyl)amino]purin-9-yl]propanenitrile Openeye Name: 3-[6-[(4-hydroxy-3-methyl-butyl)amino]purin-9-yl]propanenitrile CAS Name: 3-[6-[(4-hydroxy-3-methylbutyl)amino]-9-purinyl]propanenitrile IUPAC Name: 3-[6-[(4-hydroxy-3-methylbutyl)amino]purin-9-yl]propanenitrile Traditional Name: 3-[6-[(4-hydroxy-3-methyl-butyl)amino]purin-9-yl]propionitrile Formula: C13H18N6O MolecularWeight: 274.32162

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N6O/c1-10(7-20)3-5-15-12-11-13(17-8-16-12)19(9-18-11)6-2-4-14/h8-10,20H,2-3,5-7H2,1H3,(H,15,16,17)