1-(3-chloranyl-4-methyl-phenyl)-N-(4-phenylmethoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine

Systemtic Name: 1-(3-chloranyl-4-methyl-phenyl)-N-(4-phenylmethoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine Openeye Name: N-(4-benzyloxyphenyl)-1-(3-chloro-4-methyl-phenyl)pyrazolo[3,4-d]pyrimidin-4-amine CAS Name: 1-(3-chloro-4-methylphenyl)-N-(4-phenylmethoxyphenyl)-4-pyrazolo[3,4-d]pyrimidinamine IUPAC Name: 1-(3-chloro-4-methylphenyl)-N-(4-phenylmethoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine Traditional Name: (4-benzoxyphenyl)-[1-(3-chloro-4-methyl-phenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amine Formula: C25H20ClN5O MolecularWeight: 441.9122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C3=C(C=N2)C(=NC=N3)NC4=CC=C(C=C4)OCC5=CC=CC=C5)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)N2C3=C(C=N2)C(=NC=N3)NC4=CC=C(C=C4)OCC5=CC=CC=C5)Cl

InChI

InChI=1S/C25H20ClN5O/c1-17-7-10-20(13-23(17)26)31-25-22(14-29-31)24(27-16-28-25)30-19-8-11-21(12-9-19)32-15-18-5-3-2-4-6-18/h2-14,16H,15H2,1H3,(H,27,28,30)