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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=O)N(C=N2)CC(=O)NC(C3=CC=CC=C3)C4=CC=C(C=C4)Cl

Isomeric SMILES

CN1C2=C(C=N1)C(=O)N(C=N2)CC(=O)NC(C3=CC=CC=C3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H18ClN5O2/c1-26-20-17(11-24-26)21(29)27(13-23-20)12-18(28)25-19(14-5-3-2-4-6-14)15-7-9-16(22)10-8-15/h2-11,13,19H,12H2,1H3,(H,25,28)