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

Systemtic Name: 3,7-dibutyl-1-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]purine-2,6-dione Openeye Name: 3,7-dibutyl-1-[[2-(4-methoxyphenyl)oxazol-4-yl]methyl]purine-2,6-dione CAS Name: 3,7-dibutyl-1-[[2-(4-methoxyphenyl)-4-oxazolyl]methyl]purine-2,6-dione IUPAC Name: 3,7-dibutyl-1-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]purine-2,6-dione Traditional Name: 3,7-dibutyl-1-[[2-(4-methoxyphenyl)oxazol-4-yl]methyl]xanthine Formula: C24H29N5O4 MolecularWeight: 451.51816

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=NC2=C1C(=O)N(C(=O)N2CCCC)CC3=COC(=N3)C4=CC=C(C=C4)OC

Isomeric SMILES

CCCCN1C=NC2=C1C(=O)N(C(=O)N2CCCC)CC3=COC(=N3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C24H29N5O4/c1-4-6-12-27-16-25-21-20(27)23(30)29(24(31)28(21)13-7-5-2)14-18-15-33-22(26-18)17-8-10-19(32-3)11-9-17/h8-11,15-16H,4-7,12-14H2,1-3H3