1-(dimethylphosphorylmethyl)-3-phenyl-7-(phenylmethyl)purine-2,6-dione

Systemtic Name: 1-(dimethylphosphorylmethyl)-3-phenyl-7-(phenylmethyl)purine-2,6-dione Openeye Name: 7-benzyl-1-(dimethylphosphorylmethyl)-3-phenyl-purine-2,6-dione CAS Name: 1-(dimethylphosphorylmethyl)-3-phenyl-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 7-benzyl-1-(dimethylphosphorylmethyl)-3-phenylpurine-2,6-dione Traditional Name: 7-benzyl-1-(dimethylphosphorylmethyl)-3-phenyl-xanthine Formula: C21H21N4O3P MolecularWeight: 408.390201

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Descriptors Computed from Structure

Canonical SMILES:

CP(=O)(C)CN1C(=O)C2=C(N=CN2CC3=CC=CC=C3)N(C1=O)C4=CC=CC=C4

Isomeric SMILES

CP(=O)(C)CN1C(=O)C2=C(N=CN2CC3=CC=CC=C3)N(C1=O)C4=CC=CC=C4

InChI

InChI=1S/C21H21N4O3P/c1-29(2,28)15-24-20(26)18-19(25(21(24)27)17-11-7-4-8-12-17)22-14-23(18)13-16-9-5-3-6-10-16/h3-12,14H,13,15H2,1-2H3