1,3-bis(cyclobutylmethyl)-7-(2-oxidanylpropyl)purine-2,6-dione

Systemtic Name: 1,3-bis(cyclobutylmethyl)-7-(2-oxidanylpropyl)purine-2,6-dione Openeye Name: 1,3-bis(cyclobutylmethyl)-7-(2-hydroxypropyl)purine-2,6-dione CAS Name: 1,3-bis(cyclobutylmethyl)-7-(2-hydroxypropyl)purine-2,6-dione IUPAC Name: 1,3-bis(cyclobutylmethyl)-7-(2-hydroxypropyl)purine-2,6-dione Traditional Name: 1,3-bis(cyclobutylmethyl)-7-(2-hydroxypropyl)xanthine Formula: C18H26N4O3 MolecularWeight: 346.42404

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C=NC2=C1C(=O)N(C(=O)N2CC3CCC3)CC4CCC4)O

Isomeric SMILES

CC(CN1C=NC2=C1C(=O)N(C(=O)N2CC3CCC3)CC4CCC4)O

InChI

InChI=1S/C18H26N4O3/c1-12(23)8-20-11-19-16-15(20)17(24)22(10-14-6-3-7-14)18(25)21(16)9-13-4-2-5-13/h11-14,23H,2-10H2,1H3