7-[2-[4-(furan-2-ylmethyl)-1,4-diazepan-1-yl]-2-oxidanylidene-ethyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[2-[4-(furan-2-ylmethyl)-1,4-diazepan-1-yl]-2-oxidanylidene-ethyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[2-[4-(2-furylmethyl)-1,4-diazepan-1-yl]-2-oxo-ethyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[2-[4-(2-furanylmethyl)-1,4-diazepan-1-yl]-2-oxoethyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[2-[4-(furan-2-ylmethyl)-1,4-diazepan-1-yl]-2-oxoethyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[2-[4-(2-furfuryl)-1,4-diazepan-1-yl]-2-keto-ethyl]-1,3-dimethyl-xanthine Formula: C19H24N6O4 MolecularWeight: 400.43166

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)N3CCCN(CC3)CC4=CC=CO4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)N3CCCN(CC3)CC4=CC=CO4

InChI

InChI=1S/C19H24N6O4/c1-21-17-16(18(27)22(2)19(21)28)25(13-20-17)12-15(26)24-7-4-6-23(8-9-24)11-14-5-3-10-29-14/h3,5,10,13H,4,6-9,11-12H2,1-2H3