4-acetamido-N-[2-[6-ethylsulfanyl-4-(2-methoxyethylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]benzamide

Systemtic Name: 4-acetamido-N-[2-[6-ethylsulfanyl-4-(2-methoxyethylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]benzamide Openeye Name: 4-acetamido-N-[2-[6-ethylsulfanyl-4-(2-methoxyethylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]benzamide CAS Name: 4-acetamido-N-[2-[6-(ethylthio)-4-(2-methoxyethylamino)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]benzamide IUPAC Name: 4-acetamido-N-[2-[6-ethylsulfanyl-4-(2-methoxyethylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]benzamide Traditional Name: 4-acetamido-N-[2-[6-(ethylthio)-4-(2-methoxyethylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]benzamide Formula: C21H27N7O3S MolecularWeight: 457.54918

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N7O3S/c1-4-32-21-26-18(22-10-12-31-3)17-13-24-28(19(17)27-21)11-9-23-20(30)15-5-7-16(8-6-15)25-14(2)29/h5-8,13H,4,9-12H2,1-3H3,(H,23,30)(H,25,29)(H,22,26,27)