N-[2-[6-ethylsulfanyl-4-(propan-2-ylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-3-phenyl-1H-pyrazole-5-carboxamide

Systemtic Name: N-[2-[6-ethylsulfanyl-4-(propan-2-ylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-3-phenyl-1H-pyrazole-5-carboxamide Openeye Name: N-[2-[6-ethylsulfanyl-4-(isopropylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-3-phenyl-1H-pyrazole-5-carboxamide CAS Name: N-[2-[6-(ethylthio)-4-(propan-2-ylamino)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-3-phenyl-1H-pyrazole-5-carboxamide IUPAC Name: N-[2-[6-ethylsulfanyl-4-(propan-2-ylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-3-phenyl-1H-pyrazole-5-carboxamide Traditional Name: N-[2-[6-(ethylthio)-4-(isopropylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-3-phenyl-1H-pyrazole-5-carboxamide Formula: C22H26N8OS MolecularWeight: 450.55984

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC2=C(C=NN2CCNC(=O)C3=CC(=NN3)C4=CC=CC=C4)C(=N1)NC(C)C

Isomeric SMILES

CCSC1=NC2=C(C=NN2CCNC(=O)C3=CC(=NN3)C4=CC=CC=C4)C(=N1)NC(C)C

InChI

InChI=1S/C22H26N8OS/c1-4-32-22-26-19(25-14(2)3)16-13-24-30(20(16)27-22)11-10-23-21(31)18-12-17(28-29-18)15-8-6-5-7-9-15/h5-9,12-14H,4,10-11H2,1-3H3,(H,23,31)(H,28,29)(H,25,26,27)