6-methyl-9-(phenylmethyl)purine-2-carbonitrile

Systemtic Name: 6-methyl-9-(phenylmethyl)purine-2-carbonitrile Openeye Name: 9-benzyl-6-methyl-purine-2-carbonitrile CAS Name: 6-methyl-9-(phenylmethyl)-2-purinecarbonitrile IUPAC Name: 9-benzyl-6-methylpurine-2-carbonitrile Traditional Name: 9-benzyl-6-methyl-purine-2-carbonitrile Formula: C14H11N5 MolecularWeight: 249.27064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=NC(=N1)C#N)N(C=N2)CC3=CC=CC=C3

Isomeric SMILES

CC1=C2C(=NC(=N1)C#N)N(C=N2)CC3=CC=CC=C3

InChI

InChI=1S/C14H11N5/c1-10-13-14(18-12(7-15)17-10)19(9-16-13)8-11-5-3-2-4-6-11/h2-6,9H,8H2,1H3