N-tert-butyl-2-[1-(3-chlorophenyl)-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl]ethanamide

Systemtic Name: N-tert-butyl-2-[1-(3-chlorophenyl)-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl]ethanamide Openeye Name: N-tert-butyl-2-[1-(3-chlorophenyl)-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl]acetamide CAS Name: N-tert-butyl-2-[1-(3-chlorophenyl)-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl]acetamide IUPAC Name: N-tert-butyl-2-[1-(3-chlorophenyl)-4-oxopyrazolo[3,4-d]pyrimidin-5-yl]acetamide Traditional Name: N-tert-butyl-2-[1-(3-chlorophenyl)-4-keto-pyrazolo[3,4-d]pyrimidin-5-yl]acetamide Formula: C17H18ClN5O2 MolecularWeight: 359.81012

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)CN1C=NC2=C(C1=O)C=NN2C3=CC(=CC=C3)Cl

Isomeric SMILES

CC(C)(C)NC(=O)CN1C=NC2=C(C1=O)C=NN2C3=CC(=CC=C3)Cl

InChI

InChI=1S/C17H18ClN5O2/c1-17(2,3)21-14(24)9-22-10-19-15-13(16(22)25)8-20-23(15)12-6-4-5-11(18)7-12/h4-8,10H,9H2,1-3H3,(H,21,24)