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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=C(N=C(N2C)NCC3=CC=CO3)N(C1=O)C

Isomeric SMILES

CCCCCCN1C(=O)C2=C(N=C(N2C)NCC3=CC=CO3)N(C1=O)C

InChI

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