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

Systemtic Name: 3-butyl-1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-7-(2-methoxyethyl)purine-2,6-dione Openeye Name: 3-butyl-1-[[5-(2-furyl)isoxazol-3-yl]methyl]-7-(2-methoxyethyl)purine-2,6-dione CAS Name: 3-butyl-1-[[5-(2-furanyl)-3-isoxazolyl]methyl]-7-(2-methoxyethyl)purine-2,6-dione IUPAC Name: 3-butyl-1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-7-(2-methoxyethyl)purine-2,6-dione Traditional Name: 3-butyl-1-[[5-(2-furyl)isoxazol-3-yl]methyl]-7-(2-methoxyethyl)xanthine Formula: C20H23N5O5 MolecularWeight: 413.42712

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)N(C1=O)CC3=NOC(=C3)C4=CC=CO4)N(C=N2)CCOC

Isomeric SMILES

CCCCN1C2=C(C(=O)N(C1=O)CC3=NOC(=C3)C4=CC=CO4)N(C=N2)CCOC

InChI

InChI=1S/C20H23N5O5/c1-3-4-7-24-18-17(23(13-21-18)8-10-28-2)19(26)25(20(24)27)12-14-11-16(30-22-14)15-6-5-9-29-15/h5-6,9,11,13H,3-4,7-8,10,12H2,1-2H3