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

Systemtic Name: 7-butyl-8-(5-methylfuran-2-yl)-3-(2-methylpropyl)purine-2,6-dione Openeye Name: 7-butyl-3-isobutyl-8-(5-methyl-2-furyl)purine-2,6-dione CAS Name: 7-butyl-8-(5-methyl-2-furanyl)-3-(2-methylpropyl)purine-2,6-dione IUPAC Name: 7-butyl-8-(5-methylfuran-2-yl)-3-(2-methylpropyl)purine-2,6-dione Traditional Name: 7-butyl-3-isobutyl-8-(5-methyl-2-furyl)xanthine Formula: C18H24N4O3 MolecularWeight: 344.40816

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(N=C1C3=CC=C(O3)C)N(C(=O)NC2=O)CC(C)C

Isomeric SMILES

CCCCN1C2=C(N=C1C3=CC=C(O3)C)N(C(=O)NC2=O)CC(C)C

InChI

InChI=1S/C18H24N4O3/c1-5-6-9-21-14-16(19-15(21)13-8-7-12(4)25-13)22(10-11(2)3)18(24)20-17(14)23/h7-8,11H,5-6,9-10H2,1-4H3,(H,20,23,24)