3-[(6-chloranyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]-N,4-dimethyl-benzamide

Systemtic Name: 3-[(6-chloranyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]-N,4-dimethyl-benzamide Openeye Name: 3-[(6-chloro-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]-N,4-dimethyl-benzamide CAS Name: 3-[(6-chloro-1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)amino]-N,4-dimethylbenzamide IUPAC Name: 3-[(6-chloro-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-N,4-dimethylbenzamide Traditional Name: 3-[(6-chloro-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]-N,4-dimethyl-benzamide Formula: C20H17ClN6O MolecularWeight: 392.84158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC)NC2=NC(=NC3=C2C=NN3C4=CC=CC=C4)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC)NC2=NC(=NC3=C2C=NN3C4=CC=CC=C4)Cl

InChI

InChI=1S/C20H17ClN6O/c1-12-8-9-13(19(28)22-2)10-16(12)24-17-15-11-23-27(14-6-4-3-5-7-14)18(15)26-20(21)25-17/h3-11H,1-2H3,(H,22,28)(H,24,25,26)