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

Systemtic Name: N-[4-[4-[(3-chlorophenyl)amino]-2H-pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]-3-methyl-butanamide Openeye Name: N-[4-[4-(3-chloroanilino)-2H-pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]-3-methyl-butanamide CAS Name: N-[4-[4-(3-chloroanilino)-2H-pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]-3-methylbutanamide IUPAC Name: N-[4-[4-(3-chloroanilino)-2H-pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]-3-methylbutanamide Traditional Name: N-[4-[4-(3-chloroanilino)-2H-pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]-3-methyl-butyramide Formula: C22H21ClN6O MolecularWeight: 420.89474

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21ClN6O/c1-13(2)10-18(30)26-16-8-6-14(7-9-16)20-19-21(24-12-25-22(19)29-28-20)27-17-5-3-4-15(23)11-17/h3-9,11-13H,10H2,1-2H3,(H,26,30)(H2,24,25,27,28,29)