N-tert-butyl-2-[[4-(tert-butylamino)-5-cyano-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl]sulfanyl]ethanamide

Systemtic Name: N-tert-butyl-2-[[4-(tert-butylamino)-5-cyano-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl]sulfanyl]ethanamide Openeye Name: N-tert-butyl-2-[[4-(tert-butylamino)-5-cyano-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl]sulfanyl]acetamide CAS Name: N-tert-butyl-2-[[4-(tert-butylamino)-5-cyano-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl]thio]acetamide IUPAC Name: N-tert-butyl-2-[[4-(tert-butylamino)-5-cyano-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl]sulfanyl]acetamide Traditional Name: N-tert-butyl-2-[[4-(tert-butylamino)-5-cyano-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl]thio]acetamide Formula: C18H26N6OS MolecularWeight: 374.50364

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=C(N2)SCC(=O)NC(C)(C)C)C#N)C(=N1)NC(C)(C)C

Isomeric SMILES

CC1=NC2=C(C(=C(N2)SCC(=O)NC(C)(C)C)C#N)C(=N1)NC(C)(C)C

InChI

InChI=1S/C18H26N6OS/c1-10-20-14-13(15(21-10)24-18(5,6)7)11(8-19)16(22-14)26-9-12(25)23-17(2,3)4/h9H2,1-7H3,(H,23,25)(H2,20,21,22,24)