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

Systemtic Name: N-[4-[4-[(3-chlorophenyl)amino]-2H-pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]ethanamide Openeye Name: N-[4-[4-(3-chloroanilino)-2H-pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]acetamide CAS Name: N-[4-[4-(3-chloroanilino)-2H-pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]acetamide IUPAC Name: N-[4-[4-(3-chloroanilino)-2H-pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]acetamide Traditional Name: N-[4-[4-(3-chloroanilino)-2H-pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]acetamide Formula: C19H15ClN6O MolecularWeight: 378.815

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C2=C3C(=NN2)N=CN=C3NC4=CC(=CC=C4)Cl

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C2=C3C(=NN2)N=CN=C3NC4=CC(=CC=C4)Cl

InChI

InChI=1S/C19H15ClN6O/c1-11(27)23-14-7-5-12(6-8-14)17-16-18(21-10-22-19(16)26-25-17)24-15-4-2-3-13(20)9-15/h2-10H,1H3,(H,23,27)(H2,21,22,24,25,26)