7-(2,2-dimethylpropyl)-6-[(4-methylphenyl)methyl]pyrrolo[2,3-d]pyrimidine-2-carbonitrile

Systemtic Name: 7-(2,2-dimethylpropyl)-6-[(4-methylphenyl)methyl]pyrrolo[2,3-d]pyrimidine-2-carbonitrile Openeye Name: 7-(2,2-dimethylpropyl)-6-(p-tolylmethyl)pyrrolo[2,3-d]pyrimidine-2-carbonitrile CAS Name: 7-(2,2-dimethylpropyl)-6-[(4-methylphenyl)methyl]-2-pyrrolo[2,3-d]pyrimidinecarbonitrile IUPAC Name: 7-(2,2-dimethylpropyl)-6-[(4-methylphenyl)methyl]pyrrolo[2,3-d]pyrimidine-2-carbonitrile Traditional Name: 6-(4-methylbenzyl)-7-neopentyl-pyrrolo[2,3-d]pyrimidine-2-carbonitrile Formula: C20H22N4 MolecularWeight: 318.41548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC2=CC3=CN=C(N=C3N2CC(C)(C)C)C#N

Isomeric SMILES

CC1=CC=C(C=C1)CC2=CC3=CN=C(N=C3N2CC(C)(C)C)C#N

InChI

InChI=1S/C20H22N4/c1-14-5-7-15(8-6-14)9-17-10-16-12-22-18(11-21)23-19(16)24(17)13-20(2,3)4/h5-8,10,12H,9,13H2,1-4H3