3-butyl-7-(2-methoxyethyl)-8-(5-methylfuran-2-yl)purine-2,6-dione

Systemtic Name: 3-butyl-7-(2-methoxyethyl)-8-(5-methylfuran-2-yl)purine-2,6-dione Openeye Name: 3-butyl-7-(2-methoxyethyl)-8-(5-methyl-2-furyl)purine-2,6-dione CAS Name: 3-butyl-7-(2-methoxyethyl)-8-(5-methyl-2-furanyl)purine-2,6-dione IUPAC Name: 3-butyl-7-(2-methoxyethyl)-8-(5-methylfuran-2-yl)purine-2,6-dione Traditional Name: 3-butyl-7-(2-methoxyethyl)-8-(5-methyl-2-furyl)xanthine Formula: C17H22N4O4 MolecularWeight: 346.38098

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC=C(O3)C)CCOC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC=C(O3)C)CCOC

InChI

InChI=1S/C17H22N4O4/c1-4-5-8-21-15-13(16(22)19-17(21)23)20(9-10-24-3)14(18-15)12-7-6-11(2)25-12/h6-7H,4-5,8-10H2,1-3H3,(H,19,22,23)