N-[5-[[4-[(3-chlorophenyl)amino]-2H-pyrazolo[3,4-d]pyrimidin-3-yl]amino]-2-methoxy-phenyl]ethanamide

Systemtic Name: N-[5-[[4-[(3-chlorophenyl)amino]-2H-pyrazolo[3,4-d]pyrimidin-3-yl]amino]-2-methoxy-phenyl]ethanamide Openeye Name: N-[5-[[4-(3-chloroanilino)-2H-pyrazolo[3,4-d]pyrimidin-3-yl]amino]-2-methoxy-phenyl]acetamide CAS Name: N-[5-[[4-(3-chloroanilino)-2H-pyrazolo[3,4-d]pyrimidin-3-yl]amino]-2-methoxyphenyl]acetamide IUPAC Name: N-[5-[[4-(3-chloroanilino)-2H-pyrazolo[3,4-d]pyrimidin-3-yl]amino]-2-methoxyphenyl]acetamide Traditional Name: N-[5-[[4-(3-chloroanilino)-2H-pyrazolo[3,4-d]pyrimidin-3-yl]amino]-2-methoxy-phenyl]acetamide Formula: C20H18ClN7O2 MolecularWeight: 423.85562

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=CC(=C1)NC2=C3C(=NN2)N=CN=C3NC4=CC(=CC=C4)Cl)OC

Isomeric SMILES

CC(=O)NC1=C(C=CC(=C1)NC2=C3C(=NN2)N=CN=C3NC4=CC(=CC=C4)Cl)OC

InChI

InChI=1S/C20H18ClN7O2/c1-11(29)24-15-9-14(6-7-16(15)30-2)26-20-17-18(22-10-23-19(17)27-28-20)25-13-5-3-4-12(21)8-13/h3-10H,1-2H3,(H,24,29)(H3,22,23,25,26,27,28)