1-(3-methylphenyl)-N-(4-phenylmethoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine

Systemtic Name: 1-(3-methylphenyl)-N-(4-phenylmethoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine Openeye Name: N-(4-benzyloxyphenyl)-1-(m-tolyl)pyrazolo[3,4-d]pyrimidin-4-amine CAS Name: 1-(3-methylphenyl)-N-(4-phenylmethoxyphenyl)-4-pyrazolo[3,4-d]pyrimidinamine IUPAC Name: 1-(3-methylphenyl)-N-(4-phenylmethoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine Traditional Name: (4-benzoxyphenyl)-[1-(m-tolyl)pyrazolo[3,4-d]pyrimidin-4-yl]amine Formula: C25H21N5O MolecularWeight: 407.46714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H21N5O/c1-18-6-5-9-21(14-18)30-25-23(15-28-30)24(26-17-27-25)29-20-10-12-22(13-11-20)31-16-19-7-3-2-4-8-19/h2-15,17H,16H2,1H3,(H,26,27,29)