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

Systemtic Name: N-[2-[4-(2-methylpropylamino)-6-methylsulfanyl-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-2-propyl-pentanamide Openeye Name: N-[2-[4-(isobutylamino)-6-methylsulfanyl-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-2-propyl-pentanamide CAS Name: N-[2-[4-(2-methylpropylamino)-6-(methylthio)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-2-propylpentanamide IUPAC Name: N-[2-[4-(2-methylpropylamino)-6-methylsulfanylpyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-2-propylpentanamide Traditional Name: N-[2-[4-(isobutylamino)-6-(methylthio)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-2-propyl-valeramide Formula: C20H34N6OS MolecularWeight: 406.58856

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H34N6OS/c1-6-8-15(9-7-2)19(27)21-10-11-26-18-16(13-23-26)17(22-12-14(3)4)24-20(25-18)28-5/h13-15H,6-12H2,1-5H3,(H,21,27)(H,22,24,25)