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

Systemtic Name: 8-(furan-2-ylmethylamino)-3,7-dimethyl-purine-2,6-dione Openeye Name: 8-(2-furylmethylamino)-3,7-dimethyl-purine-2,6-dione CAS Name: 8-(2-furanylmethylamino)-3,7-dimethylpurine-2,6-dione IUPAC Name: 8-(furan-2-ylmethylamino)-3,7-dimethylpurine-2,6-dione Traditional Name: 8-(2-furfurylamino)-3,7-dimethyl-xanthine Formula: C12H13N5O3 MolecularWeight: 275.26332

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1NCC3=CC=CO3)N(C(=O)NC2=O)C

Isomeric SMILES

CN1C2=C(N=C1NCC3=CC=CO3)N(C(=O)NC2=O)C

InChI

InChI=1S/C12H13N5O3/c1-16-8-9(17(2)12(19)15-10(8)18)14-11(16)13-6-7-4-3-5-20-7/h3-5H,6H2,1-2H3,(H,13,14)(H,15,18,19)