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

Systemtic Name: 7-(2,2-dimethylpropyl)-6-[(4-oxidanylidenepiperidin-1-yl)methyl]pyrrolo[2,3-d]pyrimidine-2-carbonitrile Openeye Name: 7-(2,2-dimethylpropyl)-6-[(4-oxo-1-piperidyl)methyl]pyrrolo[2,3-d]pyrimidine-2-carbonitrile CAS Name: 7-(2,2-dimethylpropyl)-6-[(4-oxo-1-piperidinyl)methyl]-2-pyrrolo[2,3-d]pyrimidinecarbonitrile IUPAC Name: 7-(2,2-dimethylpropyl)-6-[(4-oxopiperidin-1-yl)methyl]pyrrolo[2,3-d]pyrimidine-2-carbonitrile Traditional Name: 6-[(4-ketopiperidino)methyl]-7-neopentyl-pyrrolo[2,3-d]pyrimidine-2-carbonitrile Formula: C18H23N5O MolecularWeight: 325.40812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N5O/c1-18(2,3)12-23-14(11-22-6-4-15(24)5-7-22)8-13-10-20-16(9-19)21-17(13)23/h8,10H,4-7,11-12H2,1-3H3