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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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