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

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

CCCCNC1=NC(=NC2=C1C(=C(N2)SCC(=O)NCCCC)C#N)C

Isomeric SMILES

CCCCNC1=NC(=NC2=C1C(=C(N2)SCC(=O)NCCCC)C#N)C

InChI

InChI=1S/C18H26N6OS/c1-4-6-8-20-14(25)11-26-18-13(10-19)15-16(21-9-7-5-2)22-12(3)23-17(15)24-18/h4-9,11H2,1-3H3,(H,20,25)(H2,21,22,23,24)