6-(2-azanyl-6-chloranyl-purin-9-yl)-4,4-dimethyl-hexanenitrile

Systemtic Name: 6-(2-azanyl-6-chloranyl-purin-9-yl)-4,4-dimethyl-hexanenitrile Openeye Name: 6-(2-amino-6-chloro-purin-9-yl)-4,4-dimethyl-hexanenitrile CAS Name: 6-(2-amino-6-chloro-9-purinyl)-4,4-dimethylhexanenitrile IUPAC Name: 6-(2-amino-6-chloropurin-9-yl)-4,4-dimethylhexanenitrile Traditional Name: 6-(2-amino-6-chloro-purin-9-yl)-4,4-dimethyl-hexanenitrile Formula: C13H17ClN6 MolecularWeight: 292.76728

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCC#N)CCN1C=NC2=C1N=C(N=C2Cl)N

Isomeric SMILES

CC(C)(CCC#N)CCN1C=NC2=C1N=C(N=C2Cl)N

InChI

InChI=1S/C13H17ClN6/c1-13(2,4-3-6-15)5-7-20-8-17-9-10(14)18-12(16)19-11(9)20/h8H,3-5,7H2,1-2H3,(H2,16,18,19)