2-methyl-2-[9-(phenylmethyl)purin-6-yl]pentanedinitrile

Systemtic Name: 2-methyl-2-[9-(phenylmethyl)purin-6-yl]pentanedinitrile Openeye Name: 2-(9-benzylpurin-6-yl)-2-methyl-pentanedinitrile CAS Name: 2-methyl-2-[9-(phenylmethyl)-6-purinyl]pentanedinitrile IUPAC Name: 2-(9-benzylpurin-6-yl)-2-methylpentanedinitrile Traditional Name: 2-(9-benzylpurin-6-yl)-2-methyl-glutaronitrile Formula: C18H16N6 MolecularWeight: 316.35984

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC#N)(C#N)C1=C2C(=NC=N1)N(C=N2)CC3=CC=CC=C3

Isomeric SMILES

CC(CCC#N)(C#N)C1=C2C(=NC=N1)N(C=N2)CC3=CC=CC=C3

InChI

InChI=1S/C18H16N6/c1-18(11-20,8-5-9-19)16-15-17(22-12-21-16)24(13-23-15)10-14-6-3-2-4-7-14/h2-4,6-7,12-13H,5,8,10H2,1H3