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

Systemtic Name: 6-[(4-dimethylaminophenyl)methyl]-7-(2,2-dimethylpropyl)pyrrolo[2,3-d]pyrimidine-2-carbonitrile Openeye Name: 6-[(4-dimethylaminophenyl)methyl]-7-(2,2-dimethylpropyl)pyrrolo[2,3-d]pyrimidine-2-carbonitrile CAS Name: 6-[(4-dimethylaminophenyl)methyl]-7-(2,2-dimethylpropyl)-2-pyrrolo[2,3-d]pyrimidinecarbonitrile IUPAC Name: 6-[(4-dimethylaminophenyl)methyl]-7-(2,2-dimethylpropyl)pyrrolo[2,3-d]pyrimidine-2-carbonitrile Traditional Name: 6-[4-(dimethylamino)benzyl]-7-neopentyl-pyrrolo[2,3-d]pyrimidine-2-carbonitrile Formula: C21H25N5 MolecularWeight: 347.4567

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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)N(C)C

Isomeric SMILES

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

InChI

InChI=1S/C21H25N5/c1-21(2,3)14-26-18(10-15-6-8-17(9-7-15)25(4)5)11-16-13-23-19(12-22)24-20(16)26/h6-9,11,13H,10,14H2,1-5H3