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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC2=C(C=NN2CCNC(=O)C3=CC=CNC3=O)C(=N1)NC(C)C

Isomeric SMILES

CCSC1=NC2=C(C=NN2CCNC(=O)C3=CC=CNC3=O)C(=N1)NC(C)C

InChI

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