N-[2-[6-methylsulfanyl-4-(propylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-2-propyl-pentanamide

Systemtic Name: N-[2-[6-methylsulfanyl-4-(propylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-2-propyl-pentanamide Openeye Name: N-[2-[6-methylsulfanyl-4-(propylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-2-propyl-pentanamide CAS Name: N-[2-[6-(methylthio)-4-(propylamino)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-2-propylpentanamide IUPAC Name: N-[2-[6-methylsulfanyl-4-(propylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-2-propylpentanamide Traditional Name: N-[2-[6-(methylthio)-4-(propylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-2-propyl-valeramide Formula: C19H32N6OS MolecularWeight: 392.56198

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)C(=O)NCCN1C2=C(C=N1)C(=NC(=N2)SC)NCCC

Isomeric SMILES

CCCC(CCC)C(=O)NCCN1C2=C(C=N1)C(=NC(=N2)SC)NCCC

InChI

InChI=1S/C19H32N6OS/c1-5-8-14(9-6-2)18(26)21-11-12-25-17-15(13-22-25)16(20-10-7-3)23-19(24-17)27-4/h13-14H,5-12H2,1-4H3,(H,21,26)(H,20,23,24)