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

Systemtic Name: N-[2-[6-ethylsulfanyl-4-(propylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]pyridine-4-carboxamide Openeye Name: N-[2-[6-ethylsulfanyl-4-(propylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]pyridine-4-carboxamide CAS Name: N-[2-[6-(ethylthio)-4-(propylamino)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-4-pyridinecarboxamide IUPAC Name: N-[2-[6-ethylsulfanyl-4-(propylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]pyridine-4-carboxamide Traditional Name: N-[2-[6-(ethylthio)-4-(propylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]isonicotinamide Formula: C18H23N7OS MolecularWeight: 385.48652

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N7OS/c1-3-7-20-15-14-12-22-25(16(14)24-18(23-15)27-4-2)11-10-21-17(26)13-5-8-19-9-6-13/h5-6,8-9,12H,3-4,7,10-11H2,1-2H3,(H,21,26)(H,20,23,24)