N-[[3-[[4-[(3-chlorophenyl)amino]-2H-pyrazolo[3,4-d]pyrimidin-3-yl]amino]phenyl]methyl]ethanamide

Systemtic Name: N-[[3-[[4-[(3-chlorophenyl)amino]-2H-pyrazolo[3,4-d]pyrimidin-3-yl]amino]phenyl]methyl]ethanamide Openeye Name: N-[[3-[[4-(3-chloroanilino)-2H-pyrazolo[3,4-d]pyrimidin-3-yl]amino]phenyl]methyl]acetamide CAS Name: N-[[3-[[4-(3-chloroanilino)-2H-pyrazolo[3,4-d]pyrimidin-3-yl]amino]phenyl]methyl]acetamide IUPAC Name: N-[[3-[[4-(3-chloroanilino)-2H-pyrazolo[3,4-d]pyrimidin-3-yl]amino]phenyl]methyl]acetamide Traditional Name: N-[3-[[4-(3-chloroanilino)-2H-pyrazolo[3,4-d]pyrimidin-3-yl]amino]benzyl]acetamide Formula: C20H18ClN7O MolecularWeight: 407.85622

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC1=CC(=CC=C1)NC2=C3C(=NN2)N=CN=C3NC4=CC(=CC=C4)Cl

Isomeric SMILES

CC(=O)NCC1=CC(=CC=C1)NC2=C3C(=NN2)N=CN=C3NC4=CC(=CC=C4)Cl

InChI

InChI=1S/C20H18ClN7O/c1-12(29)22-10-13-4-2-6-15(8-13)26-20-17-18(23-11-24-19(17)27-28-20)25-16-7-3-5-14(21)9-16/h2-9,11H,10H2,1H3,(H,22,29)(H3,23,24,25,26,27,28)