N-[(4-oxidanylidene-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)methyl]-2-phenoxy-propanamide

Systemtic Name: N-[(4-oxidanylidene-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)methyl]-2-phenoxy-propanamide Openeye Name: N-[(4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)methyl]-2-phenoxy-propanamide CAS Name: N-[(4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)methyl]-2-phenoxypropanamide IUPAC Name: N-[(4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)methyl]-2-phenoxypropanamide Traditional Name: N-[(4-keto-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)methyl]-2-phenoxy-propionamide Formula: C21H19N5O3 MolecularWeight: 389.40726

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=NC(=O)C2=CNN(C2=N1)C3=CC=CC=C3)OC4=CC=CC=C4

Isomeric SMILES

CC(C(=O)NCC1=NC(=O)C2=CNN(C2=N1)C3=CC=CC=C3)OC4=CC=CC=C4

InChI

InChI=1S/C21H19N5O3/c1-14(29-16-10-6-3-7-11-16)20(27)22-13-18-24-19-17(21(28)25-18)12-23-26(19)15-8-4-2-5-9-15/h2-12,14,23H,13H2,1H3,(H,22,27)