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

Systemtic Name: 7-(2,2-dimethylpropyl)-6-[(4-naphthalen-2-ylphenyl)methyl]pyrrolo[2,3-d]pyrimidine-2-carbonitrile Openeye Name: 7-(2,2-dimethylpropyl)-6-[[4-(2-naphthyl)phenyl]methyl]pyrrolo[2,3-d]pyrimidine-2-carbonitrile CAS Name: 7-(2,2-dimethylpropyl)-6-[[4-(2-naphthalenyl)phenyl]methyl]-2-pyrrolo[2,3-d]pyrimidinecarbonitrile IUPAC Name: 7-(2,2-dimethylpropyl)-6-[(4-naphthalen-2-ylphenyl)methyl]pyrrolo[2,3-d]pyrimidine-2-carbonitrile Traditional Name: 6-[4-(2-naphthyl)benzyl]-7-neopentyl-pyrrolo[2,3-d]pyrimidine-2-carbonitrile Formula: C29H26N4 MolecularWeight: 430.54354

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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)C4=CC5=CC=CC=C5C=C4

Isomeric SMILES

CC(C)(C)CN1C(=CC2=CN=C(N=C21)C#N)CC3=CC=C(C=C3)C4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C29H26N4/c1-29(2,3)19-33-26(16-25-18-31-27(17-30)32-28(25)33)14-20-8-10-22(11-9-20)24-13-12-21-6-4-5-7-23(21)15-24/h4-13,15-16,18H,14,19H2,1-3H3