6-[[2,4-bis(oxidanylidene)-3,8-diazaspiro[4.5]decan-8-yl]methyl]-7-(2,2-dimethylpropyl)pyrrolo[2,3-d]pyrimidine-2-carbonitrile

Systemtic Name: 6-[[2,4-bis(oxidanylidene)-3,8-diazaspiro[4.5]decan-8-yl]methyl]-7-(2,2-dimethylpropyl)pyrrolo[2,3-d]pyrimidine-2-carbonitrile Openeye Name: 7-(2,2-dimethylpropyl)-6-[(2,4-dioxo-3,8-diazaspiro[4.5]decan-8-yl)methyl]pyrrolo[2,3-d]pyrimidine-2-carbonitrile CAS Name: 7-(2,2-dimethylpropyl)-6-[(2,4-dioxo-3,8-diazaspiro[4.5]decan-8-yl)methyl]-2-pyrrolo[2,3-d]pyrimidinecarbonitrile IUPAC Name: 7-(2,2-dimethylpropyl)-6-[(2,4-dioxo-3,8-diazaspiro[4.5]decan-8-yl)methyl]pyrrolo[2,3-d]pyrimidine-2-carbonitrile Traditional Name: 6-[(2,4-diketo-3,8-diazaspiro[4.5]decan-8-yl)methyl]-7-neopentyl-pyrrolo[2,3-d]pyrimidine-2-carbonitrile Formula: C21H26N6O2 MolecularWeight: 394.47014

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CN1C(=CC2=CN=C(N=C21)C#N)CN3CCC4(CC3)CC(=O)NC4=O

Isomeric SMILES

CC(C)(C)CN1C(=CC2=CN=C(N=C21)C#N)CN3CCC4(CC3)CC(=O)NC4=O

InChI

InChI=1S/C21H26N6O2/c1-20(2,3)13-27-15(8-14-11-23-16(10-22)24-18(14)27)12-26-6-4-21(5-7-26)9-17(28)25-19(21)29/h8,11H,4-7,9,12-13H2,1-3H3,(H,25,28,29)