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

Systemtic Name: N-(3-chloranyl-2-methyl-phenyl)-3-(4-oxidanylidene-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)propanamide Openeye Name: N-(3-chloro-2-methyl-phenyl)-3-(4-oxo-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)propanamide CAS Name: N-(3-chloro-2-methylphenyl)-3-(4-oxo-1-phenyl-5-pyrazolo[3,4-d]pyrimidinyl)propanamide IUPAC Name: N-(3-chloro-2-methylphenyl)-3-(4-oxo-1-phenylpyrazolo[3,4-d]pyrimidin-5-yl)propanamide Traditional Name: N-(3-chloro-2-methyl-phenyl)-3-(4-keto-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)propionamide Formula: C21H18ClN5O2 MolecularWeight: 407.85292

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=O)CCN2C=NC3=C(C2=O)C=NN3C4=CC=CC=C4

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)CCN2C=NC3=C(C2=O)C=NN3C4=CC=CC=C4

InChI

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