3-butyl-7-(furan-2-ylmethyl)-1-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]purine-2,6-dione

Systemtic Name: 3-butyl-7-(furan-2-ylmethyl)-1-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]purine-2,6-dione Openeye Name: 3-butyl-7-(2-furylmethyl)-1-[[2-(4-methoxyphenyl)oxazol-4-yl]methyl]purine-2,6-dione CAS Name: 3-butyl-7-(2-furanylmethyl)-1-[[2-(4-methoxyphenyl)-4-oxazolyl]methyl]purine-2,6-dione IUPAC Name: 3-butyl-7-(furan-2-ylmethyl)-1-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]purine-2,6-dione Traditional Name: 3-butyl-7-(2-furfuryl)-1-[[2-(4-methoxyphenyl)oxazol-4-yl]methyl]xanthine Formula: C25H25N5O5 MolecularWeight: 475.4965

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)N(C1=O)CC3=COC(=N3)C4=CC=C(C=C4)OC)N(C=N2)CC5=CC=CO5

Isomeric SMILES

CCCCN1C2=C(C(=O)N(C1=O)CC3=COC(=N3)C4=CC=C(C=C4)OC)N(C=N2)CC5=CC=CO5

InChI

InChI=1S/C25H25N5O5/c1-3-4-11-29-22-21(28(16-26-22)14-20-6-5-12-34-20)24(31)30(25(29)32)13-18-15-35-23(27-18)17-7-9-19(33-2)10-8-17/h5-10,12,15-16H,3-4,11,13-14H2,1-2H3