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

Systemtic Name: 7-(cyclopropylmethyl)-1-(dimethylphosphorylmethyl)-3-phenyl-purine-2,6-dione Openeye Name: 7-(cyclopropylmethyl)-1-(dimethylphosphorylmethyl)-3-phenyl-purine-2,6-dione CAS Name: 7-(cyclopropylmethyl)-1-(dimethylphosphorylmethyl)-3-phenylpurine-2,6-dione IUPAC Name: 7-(cyclopropylmethyl)-1-(dimethylphosphorylmethyl)-3-phenylpurine-2,6-dione Traditional Name: 7-(cyclopropylmethyl)-1-(dimethylphosphorylmethyl)-3-phenyl-xanthine Formula: C18H21N4O3P MolecularWeight: 372.358101

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Descriptors Computed from Structure

Canonical SMILES:

CP(=O)(C)CN1C(=O)C2=C(N=CN2CC3CC3)N(C1=O)C4=CC=CC=C4

Isomeric SMILES

CP(=O)(C)CN1C(=O)C2=C(N=CN2CC3CC3)N(C1=O)C4=CC=CC=C4

InChI

InChI=1S/C18H21N4O3P/c1-26(2,25)12-21-17(23)15-16(19-11-20(15)10-13-8-9-13)22(18(21)24)14-6-4-3-5-7-14/h3-7,11,13H,8-10,12H2,1-2H3