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

Systemtic Name: (phenylmethyl) N-[3-[4-[(3-chlorophenyl)amino]-2H-pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]carbamate Openeye Name: benzyl N-[3-[4-(3-chloroanilino)-2H-pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]carbamate CAS Name: N-[3-[4-(3-chloroanilino)-2H-pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[3-[4-(3-chloroanilino)-2H-pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]carbamate Traditional Name: N-[3-[4-(3-chloroanilino)-2H-pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]carbamic acid benzyl ester Formula: C25H19ClN6O2 MolecularWeight: 470.91036

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC2=CC=CC(=C2)C3=C4C(=NN3)N=CN=C4NC5=CC(=CC=C5)Cl

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NC2=CC=CC(=C2)C3=C4C(=NN3)N=CN=C4NC5=CC(=CC=C5)Cl

InChI

InChI=1S/C25H19ClN6O2/c26-18-9-5-11-20(13-18)29-23-21-22(31-32-24(21)28-15-27-23)17-8-4-10-19(12-17)30-25(33)34-14-16-6-2-1-3-7-16/h1-13,15H,14H2,(H,30,33)(H2,27,28,29,31,32)