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

Systemtic Name: 3-butyl-7-ethyl-8-(5-methylfuran-2-yl)purine-2,6-dione Openeye Name: 3-butyl-7-ethyl-8-(5-methyl-2-furyl)purine-2,6-dione CAS Name: 3-butyl-7-ethyl-8-(5-methyl-2-furanyl)purine-2,6-dione IUPAC Name: 3-butyl-7-ethyl-8-(5-methylfuran-2-yl)purine-2,6-dione Traditional Name: 3-butyl-7-ethyl-8-(5-methyl-2-furyl)xanthine Formula: C16H20N4O3 MolecularWeight: 316.355

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N4O3/c1-4-6-9-20-14-12(15(21)18-16(20)22)19(5-2)13(17-14)11-8-7-10(3)23-11/h7-8H,4-6,9H2,1-3H3,(H,18,21,22)