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

Systemtic Name: N-[2-[6-ethylsulfanyl-4-(propylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-2-oxidanylidene-1H-pyridine-3-carboxamide Openeye Name: N-[2-[6-ethylsulfanyl-4-(propylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-2-oxo-1H-pyridine-3-carboxamide CAS Name: N-[2-[6-(ethylthio)-4-(propylamino)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-2-oxo-1H-pyridine-3-carboxamide IUPAC Name: N-[2-[6-ethylsulfanyl-4-(propylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-2-oxo-1H-pyridine-3-carboxamide Traditional Name: N-[2-[6-(ethylthio)-4-(propylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-2-keto-1H-pyridine-3-carboxamide Formula: C18H23N7O2S MolecularWeight: 401.48592

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=NC(=NC2=C1C=NN2CCNC(=O)C3=CC=CNC3=O)SCC

Isomeric SMILES

CCCNC1=NC(=NC2=C1C=NN2CCNC(=O)C3=CC=CNC3=O)SCC

InChI

InChI=1S/C18H23N7O2S/c1-3-7-19-14-13-11-22-25(15(13)24-18(23-14)28-4-2)10-9-21-17(27)12-6-5-8-20-16(12)26/h5-6,8,11H,3-4,7,9-10H2,1-2H3,(H,20,26)(H,21,27)(H,19,23,24)