8-(furan-2-ylmethylamino)-7-hexyl-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 8-(furan-2-ylmethylamino)-7-hexyl-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-(2-furylmethylamino)-7-hexyl-1,3-dimethyl-purine-2,6-dione CAS Name: 8-(2-furanylmethylamino)-7-hexyl-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-(furan-2-ylmethylamino)-7-hexyl-1,3-dimethylpurine-2,6-dione Traditional Name: 8-(2-furfurylamino)-7-hexyl-1,3-dimethyl-xanthine Formula: C18H25N5O3 MolecularWeight: 359.4228

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C2=C(N=C1NCC3=CC=CO3)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCCCCCN1C2=C(N=C1NCC3=CC=CO3)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C18H25N5O3/c1-4-5-6-7-10-23-14-15(21(2)18(25)22(3)16(14)24)20-17(23)19-12-13-9-8-11-26-13/h8-9,11H,4-7,10,12H2,1-3H3,(H,19,20)