8-(furan-2-ylmethylamino)-7-(2-hydroxyethyl)-3-methyl-purine-2,6-dione

Systemtic Name: 8-(furan-2-ylmethylamino)-7-(2-hydroxyethyl)-3-methyl-purine-2,6-dione Openeye Name: 8-(2-furylmethylamino)-7-(2-hydroxyethyl)-3-methyl-purine-2,6-dione CAS Name: 8-(2-furanylmethylamino)-7-(2-hydroxyethyl)-3-methylpurine-2,6-dione IUPAC Name: 8-(furan-2-ylmethylamino)-7-(2-hydroxyethyl)-3-methylpurine-2,6-dione Traditional Name: 8-(2-furfurylamino)-7-(2-hydroxyethyl)-3-methyl-xanthine Formula: C13H15N5O4 MolecularWeight: 305.2893

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCC3=CC=CO3)CCO

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCC3=CC=CO3)CCO

InChI

InChI=1S/C13H15N5O4/c1-17-10-9(11(20)16-13(17)21)18(4-5-19)12(15-10)14-7-8-3-2-6-22-8/h2-3,6,19H,4-5,7H2,1H3,(H,14,15)(H,16,20,21)