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

Systemtic Name: 3,7-dibutyl-1-(dimethylphosphorylmethyl)purine-2,6-dione Openeye Name: 3,7-dibutyl-1-(dimethylphosphorylmethyl)purine-2,6-dione CAS Name: 3,7-dibutyl-1-(dimethylphosphorylmethyl)purine-2,6-dione IUPAC Name: 3,7-dibutyl-1-(dimethylphosphorylmethyl)purine-2,6-dione Traditional Name: 3,7-dibutyl-1-(dimethylphosphorylmethyl)xanthine Formula: C16H27N4O3P MolecularWeight: 354.384341

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=NC2=C1C(=O)N(C(=O)N2CCCC)CP(=O)(C)C

Isomeric SMILES

CCCCN1C=NC2=C1C(=O)N(C(=O)N2CCCC)CP(=O)(C)C

InChI

InChI=1S/C16H27N4O3P/c1-5-7-9-18-11-17-14-13(18)15(21)20(12-24(3,4)23)16(22)19(14)10-8-6-2/h11H,5-10,12H2,1-4H3