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9-(4-methylphenyl)purine-6-carbonitrile

9-(4-methylphenyl)purine-6-carbonitrile

Systemtic Name:9-(4-methylphenyl)purine-6-carbonitrile
Openeye Name:9-(p-tolyl)purine-6-carbonitrile
CAS Name:9-(4-methylphenyl)-6-purinecarbonitrile
IUPAC Name:9-(4-methylphenyl)purine-6-carbonitrile
Traditional Name:9-(p-tolyl)purine-6-carbonitrile
Formula: C13H9N5
MolecularWeight: 235.24406
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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C=NC3=C(N=CN=C32)C#N


Isomeric SMILES

CC1=CC=C(C=C1)N2C=NC3=C(N=CN=C32)C#N


InChI

InChI=1S/C13H9N5/c1-9-2-4-10(5-3-9)18-8-17-12-11(6-14)15-7-16-13(12)18/h2-5,7-8H,1H3


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