3,7-dibutyl-1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]purine-2,6-dione

Systemtic Name: 3,7-dibutyl-1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]purine-2,6-dione Openeye Name: 3,7-dibutyl-1-[[5-(2-furyl)isoxazol-3-yl]methyl]purine-2,6-dione CAS Name: 3,7-dibutyl-1-[[5-(2-furanyl)-3-isoxazolyl]methyl]purine-2,6-dione IUPAC Name: 3,7-dibutyl-1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]purine-2,6-dione Traditional Name: 3,7-dibutyl-1-[[5-(2-furyl)isoxazol-3-yl]methyl]xanthine Formula: C21H25N5O4 MolecularWeight: 411.4543

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=NC2=C1C(=O)N(C(=O)N2CCCC)CC3=NOC(=C3)C4=CC=CO4

Isomeric SMILES

CCCCN1C=NC2=C1C(=O)N(C(=O)N2CCCC)CC3=NOC(=C3)C4=CC=CO4

InChI

InChI=1S/C21H25N5O4/c1-3-5-9-24-14-22-19-18(24)20(27)26(21(28)25(19)10-6-4-2)13-15-12-17(30-23-15)16-8-7-11-29-16/h7-8,11-12,14H,3-6,9-10,13H2,1-2H3