4-[[1-(2,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]benzamide

Systemtic Name: 4-[[1-(2,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]benzamide Openeye Name: 4-[[1-(2,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]benzamide CAS Name: 4-[[1-(2,4-dimethylphenyl)-4-pyrazolo[3,4-d]pyrimidinyl]amino]benzamide IUPAC Name: 4-[[1-(2,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]benzamide Traditional Name: 4-[[1-(2,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]benzamide Formula: C20H18N6O MolecularWeight: 358.39652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C3=C(C=N2)C(=NC=N3)NC4=CC=C(C=C4)C(=O)N)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C3=C(C=N2)C(=NC=N3)NC4=CC=C(C=C4)C(=O)N)C

InChI

InChI=1S/C20H18N6O/c1-12-3-8-17(13(2)9-12)26-20-16(10-24-26)19(22-11-23-20)25-15-6-4-14(5-7-15)18(21)27/h3-11H,1-2H3,(H2,21,27)(H,22,23,25)