N-[2-[6-ethylsulfanyl-4-(2-methylpropylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]pyridine-2-carboxamide

Systemtic Name: N-[2-[6-ethylsulfanyl-4-(2-methylpropylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]pyridine-2-carboxamide Openeye Name: N-[2-[6-ethylsulfanyl-4-(isobutylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]pyridine-2-carboxamide CAS Name: N-[2-[6-(ethylthio)-4-(2-methylpropylamino)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-2-pyridinecarboxamide IUPAC Name: N-[2-[6-ethylsulfanyl-4-(2-methylpropylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]pyridine-2-carboxamide Traditional Name: N-[2-[6-(ethylthio)-4-(isobutylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]picolinamide Formula: C19H25N7OS MolecularWeight: 399.5131

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC2=C(C=NN2CCNC(=O)C3=CC=CC=N3)C(=N1)NCC(C)C

Isomeric SMILES

CCSC1=NC2=C(C=NN2CCNC(=O)C3=CC=CC=N3)C(=N1)NCC(C)C

InChI

InChI=1S/C19H25N7OS/c1-4-28-19-24-16(22-11-13(2)3)14-12-23-26(17(14)25-19)10-9-21-18(27)15-7-5-6-8-20-15/h5-8,12-13H,4,9-11H2,1-3H3,(H,21,27)(H,22,24,25)