5-phenyl-2-[[[9-(phenylmethyl)purin-6-yl]amino]methylidene]cyclohexane-1,3-dione

Systemtic Name: 5-phenyl-2-[[[9-(phenylmethyl)purin-6-yl]amino]methylidene]cyclohexane-1,3-dione Openeye Name: 2-[[(9-benzylpurin-6-yl)amino]methylene]-5-phenyl-cyclohexane-1,3-dione CAS Name: 5-phenyl-2-[[[9-(phenylmethyl)-6-purinyl]amino]methylidene]cyclohexane-1,3-dione IUPAC Name: 2-[[(9-benzylpurin-6-yl)amino]methylidene]-5-phenylcyclohexane-1,3-dione Traditional Name: 2-[[(9-benzylpurin-6-yl)amino]methylene]-5-phenyl-cyclohexane-1,3-quinone Formula: C25H21N5O2 MolecularWeight: 423.46654

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CC(=O)C(=CNC2=NC=NC3=C2N=CN3CC4=CC=CC=C4)C1=O)C5=CC=CC=C5

Isomeric SMILES

C1C(CC(=O)C(=CNC2=NC=NC3=C2N=CN3CC4=CC=CC=C4)C1=O)C5=CC=CC=C5

InChI

InChI=1S/C25H21N5O2/c31-21-11-19(18-9-5-2-6-10-18)12-22(32)20(21)13-26-24-23-25(28-15-27-24)30(16-29-23)14-17-7-3-1-4-8-17/h1-10,13,15-16,19H,11-12,14H2,(H,26,27,28)