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

Systemtic Name: 1-(3-chloranyl-4-methyl-phenyl)-N-phenyl-N-(phenylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine Openeye Name: N-benzyl-1-(3-chloro-4-methyl-phenyl)-N-phenyl-pyrazolo[3,4-d]pyrimidin-4-amine CAS Name: 1-(3-chloro-4-methylphenyl)-N-phenyl-N-(phenylmethyl)-4-pyrazolo[3,4-d]pyrimidinamine IUPAC Name: N-benzyl-1-(3-chloro-4-methylphenyl)-N-phenylpyrazolo[3,4-d]pyrimidin-4-amine Traditional Name: benzyl-[1-(3-chloro-4-methyl-phenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-phenyl-amine Formula: C25H20ClN5 MolecularWeight: 425.9128

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C3=C(C=N2)C(=NC=N3)N(CC4=CC=CC=C4)C5=CC=CC=C5)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)N2C3=C(C=N2)C(=NC=N3)N(CC4=CC=CC=C4)C5=CC=CC=C5)Cl

InChI

InChI=1S/C25H20ClN5/c1-18-12-13-21(14-23(18)26)31-25-22(15-29-31)24(27-17-28-25)30(20-10-6-3-7-11-20)16-19-8-4-2-5-9-19/h2-15,17H,16H2,1H3