7-(2,2-dimethylpropyl)-6-[[4-(4-methoxyphenyl)piperidin-1-yl]methyl]pyrrolo[2,3-d]pyrimidine-2-carbonitrile

Systemtic Name: 7-(2,2-dimethylpropyl)-6-[[4-(4-methoxyphenyl)piperidin-1-yl]methyl]pyrrolo[2,3-d]pyrimidine-2-carbonitrile Openeye Name: 7-(2,2-dimethylpropyl)-6-[[4-(4-methoxyphenyl)-1-piperidyl]methyl]pyrrolo[2,3-d]pyrimidine-2-carbonitrile CAS Name: 7-(2,2-dimethylpropyl)-6-[[4-(4-methoxyphenyl)-1-piperidinyl]methyl]-2-pyrrolo[2,3-d]pyrimidinecarbonitrile IUPAC Name: 7-(2,2-dimethylpropyl)-6-[[4-(4-methoxyphenyl)piperidin-1-yl]methyl]pyrrolo[2,3-d]pyrimidine-2-carbonitrile Traditional Name: 6-[[4-(4-methoxyphenyl)piperidino]methyl]-7-neopentyl-pyrrolo[2,3-d]pyrimidine-2-carbonitrile Formula: C25H31N5O MolecularWeight: 417.54654

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CN1C(=CC2=CN=C(N=C21)C#N)CN3CCC(CC3)C4=CC=C(C=C4)OC

Isomeric SMILES

CC(C)(C)CN1C(=CC2=CN=C(N=C21)C#N)CN3CCC(CC3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C25H31N5O/c1-25(2,3)17-30-21(13-20-15-27-23(14-26)28-24(20)30)16-29-11-9-19(10-12-29)18-5-7-22(31-4)8-6-18/h5-8,13,15,19H,9-12,16-17H2,1-4H3