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

Systemtic Name: 3-butyl-7-(furan-2-ylmethyl)-8-(5-methylfuran-2-yl)purine-2,6-dione Openeye Name: 3-butyl-7-(2-furylmethyl)-8-(5-methyl-2-furyl)purine-2,6-dione CAS Name: 3-butyl-7-(2-furanylmethyl)-8-(5-methyl-2-furanyl)purine-2,6-dione IUPAC Name: 3-butyl-7-(furan-2-ylmethyl)-8-(5-methylfuran-2-yl)purine-2,6-dione Traditional Name: 3-butyl-7-(2-furfuryl)-8-(5-methyl-2-furyl)xanthine Formula: C19H20N4O4 MolecularWeight: 368.3865

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC=C(O3)C)CC4=CC=CO4

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC=C(O3)C)CC4=CC=CO4

InChI

InChI=1S/C19H20N4O4/c1-3-4-9-22-17-15(18(24)21-19(22)25)23(11-13-6-5-10-26-13)16(20-17)14-8-7-12(2)27-14/h5-8,10H,3-4,9,11H2,1-2H3,(H,21,24,25)