3-butyl-7-ethyl-8-[[furan-2-ylmethyl(methyl)amino]methyl]purine-2,6-dione

Systemtic Name: 3-butyl-7-ethyl-8-[[furan-2-ylmethyl(methyl)amino]methyl]purine-2,6-dione Openeye Name: 3-butyl-7-ethyl-8-[[2-furylmethyl(methyl)amino]methyl]purine-2,6-dione CAS Name: 3-butyl-7-ethyl-8-[[2-furanylmethyl(methyl)amino]methyl]purine-2,6-dione IUPAC Name: 3-butyl-7-ethyl-8-[[furan-2-ylmethyl(methyl)amino]methyl]purine-2,6-dione Traditional Name: 3-butyl-7-ethyl-8-[[2-furfuryl(methyl)amino]methyl]xanthine Formula: C18H25N5O3 MolecularWeight: 359.4228

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CN(C)CC3=CC=CO3)CC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CN(C)CC3=CC=CO3)CC

InChI

InChI=1S/C18H25N5O3/c1-4-6-9-23-16-15(17(24)20-18(23)25)22(5-2)14(19-16)12-21(3)11-13-8-7-10-26-13/h7-8,10H,4-6,9,11-12H2,1-3H3,(H,20,24,25)