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

Systemtic Name: 3-[(6-methoxy-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]-N,4-dimethyl-benzamide Openeye Name: 3-[(6-methoxy-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]-N,4-dimethyl-benzamide CAS Name: 3-[(6-methoxy-1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)amino]-N,4-dimethylbenzamide IUPAC Name: 3-[(6-methoxy-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-N,4-dimethylbenzamide Traditional Name: 3-[(6-methoxy-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]-N,4-dimethyl-benzamide Formula: C21H20N6O2 MolecularWeight: 388.4225

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N6O2/c1-13-9-10-14(20(28)22-2)11-17(13)24-18-16-12-23-27(15-7-5-4-6-8-15)19(16)26-21(25-18)29-3/h4-12H,1-3H3,(H,22,28)(H,24,25,26)