7-(2,2-dimethylpropyl)-6-[(4-pyrrol-1-ylphenyl)methyl]pyrrolo[2,3-d]pyrimidine-2-carbonitrile

Systemtic Name: 7-(2,2-dimethylpropyl)-6-[(4-pyrrol-1-ylphenyl)methyl]pyrrolo[2,3-d]pyrimidine-2-carbonitrile Openeye Name: 7-(2,2-dimethylpropyl)-6-[(4-pyrrol-1-ylphenyl)methyl]pyrrolo[2,3-d]pyrimidine-2-carbonitrile CAS Name: 7-(2,2-dimethylpropyl)-6-[[4-(1-pyrrolyl)phenyl]methyl]-2-pyrrolo[2,3-d]pyrimidinecarbonitrile IUPAC Name: 7-(2,2-dimethylpropyl)-6-[(4-pyrrol-1-ylphenyl)methyl]pyrrolo[2,3-d]pyrimidine-2-carbonitrile Traditional Name: 7-neopentyl-6-(4-pyrrol-1-ylbenzyl)pyrrolo[2,3-d]pyrimidine-2-carbonitrile Formula: C23H23N5 MolecularWeight: 369.46222

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CN1C(=CC2=CN=C(N=C21)C#N)CC3=CC=C(C=C3)N4C=CC=C4

Isomeric SMILES

CC(C)(C)CN1C(=CC2=CN=C(N=C21)C#N)CC3=CC=C(C=C3)N4C=CC=C4

InChI

InChI=1S/C23H23N5/c1-23(2,3)16-28-20(13-18-15-25-21(14-24)26-22(18)28)12-17-6-8-19(9-7-17)27-10-4-5-11-27/h4-11,13,15H,12,16H2,1-3H3