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

Systemtic Name: 2-[1-(4-chlorophenyl)-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl]-N-phenethyl-ethanamide Openeye Name: 2-[1-(4-chlorophenyl)-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl]-N-phenethyl-acetamide CAS Name: 2-[1-(4-chlorophenyl)-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl]-N-phenethylacetamide IUPAC Name: 2-[1-(4-chlorophenyl)-4-oxopyrazolo[3,4-d]pyrimidin-5-yl]-N-phenethylacetamide Traditional Name: 2-[1-(4-chlorophenyl)-4-keto-pyrazolo[3,4-d]pyrimidin-5-yl]-N-phenethyl-acetamide Formula: C21H18ClN5O2 MolecularWeight: 407.85292

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=O)CN2C=NC3=C(C2=O)C=NN3C4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=O)CN2C=NC3=C(C2=O)C=NN3C4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H18ClN5O2/c22-16-6-8-17(9-7-16)27-20-18(12-25-27)21(29)26(14-24-20)13-19(28)23-11-10-15-4-2-1-3-5-15/h1-9,12,14H,10-11,13H2,(H,23,28)