3-[[1-(3-chloranylpyridin-2-yl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]-N-cyclopropyl-4-methyl-benzamide

Systemtic Name: 3-[[1-(3-chloranylpyridin-2-yl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]-N-cyclopropyl-4-methyl-benzamide Openeye Name: 3-[[1-(3-chloro-2-pyridyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]-N-cyclopropyl-4-methyl-benzamide CAS Name: 3-[[1-(3-chloro-2-pyridinyl)-4-pyrazolo[3,4-d]pyrimidinyl]amino]-N-cyclopropyl-4-methylbenzamide IUPAC Name: 3-[[1-(3-chloropyridin-2-yl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]-N-cyclopropyl-4-methylbenzamide Traditional Name: 3-[[1-(3-chloro-2-pyridyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]-N-cyclopropyl-4-methyl-benzamide Formula: C21H18ClN7O MolecularWeight: 419.86692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2CC2)NC3=NC=NC4=C3C=NN4C5=C(C=CC=N5)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2CC2)NC3=NC=NC4=C3C=NN4C5=C(C=CC=N5)Cl

InChI

InChI=1S/C21H18ClN7O/c1-12-4-5-13(21(30)27-14-6-7-14)9-17(12)28-18-15-10-26-29(19(15)25-11-24-18)20-16(22)3-2-8-23-20/h2-5,8-11,14H,6-7H2,1H3,(H,27,30)(H,24,25,28)