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

Systemtic Name: 1-phenyl-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine Openeye Name: 1-phenyl-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine CAS Name: 1-phenyl-N-[[4-(1-pyrazolylmethyl)phenyl]methyl]-4-pyrazolo[3,4-d]pyrimidinamine IUPAC Name: 1-phenyl-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine Traditional Name: (1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)-[4-(pyrazol-1-ylmethyl)benzyl]amine Formula: C22H19N7 MolecularWeight: 381.43316

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)NCC4=CC=C(C=C4)CN5C=CC=N5

Isomeric SMILES

C1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)NCC4=CC=C(C=C4)CN5C=CC=N5

InChI

InChI=1S/C22H19N7/c1-2-5-19(6-3-1)29-22-20(14-27-29)21(24-16-25-22)23-13-17-7-9-18(10-8-17)15-28-12-4-11-26-28/h1-12,14,16H,13,15H2,(H,23,24,25)