1,3-dimethyl-7-(naphthalen-1-ylmethyl)-8-(oxolan-2-ylmethylamino)purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-(naphthalen-1-ylmethyl)-8-(oxolan-2-ylmethylamino)purine-2,6-dione Openeye Name: 1,3-dimethyl-7-(1-naphthylmethyl)-8-(tetrahydrofuran-2-ylmethylamino)purine-2,6-dione CAS Name: 1,3-dimethyl-7-(1-naphthalenylmethyl)-8-(2-oxolanylmethylamino)purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-(naphthalen-1-ylmethyl)-8-(oxolan-2-ylmethylamino)purine-2,6-dione Traditional Name: 1,3-dimethyl-7-(1-naphthylmethyl)-8-(tetrahydrofurfurylamino)xanthine Formula: C23H25N5O3 MolecularWeight: 419.4763

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCC3CCCO3)CC4=CC=CC5=CC=CC=C54

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCC3CCCO3)CC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C23H25N5O3/c1-26-20-19(21(29)27(2)23(26)30)28(22(25-20)24-13-17-10-6-12-31-17)14-16-9-5-8-15-7-3-4-11-18(15)16/h3-5,7-9,11,17H,6,10,12-14H2,1-2H3,(H,24,25)