3-butyl-7-(2-methoxyethyl)-1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]purine-2,6-dione

Systemtic Name: 3-butyl-7-(2-methoxyethyl)-1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]purine-2,6-dione Openeye Name: 3-butyl-7-(2-methoxyethyl)-1-[[2-(2-thienyl)oxazol-4-yl]methyl]purine-2,6-dione CAS Name: 3-butyl-7-(2-methoxyethyl)-1-[(2-thiophen-2-yl-4-oxazolyl)methyl]purine-2,6-dione IUPAC Name: 3-butyl-7-(2-methoxyethyl)-1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]purine-2,6-dione Traditional Name: 3-butyl-7-(2-methoxyethyl)-1-[[2-(2-thienyl)oxazol-4-yl]methyl]xanthine Formula: C20H23N5O4S MolecularWeight: 429.49272

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)N(C1=O)CC3=COC(=N3)C4=CC=CS4)N(C=N2)CCOC

Isomeric SMILES

CCCCN1C2=C(C(=O)N(C1=O)CC3=COC(=N3)C4=CC=CS4)N(C=N2)CCOC

InChI

InChI=1S/C20H23N5O4S/c1-3-4-7-24-17-16(23(13-21-17)8-9-28-2)19(26)25(20(24)27)11-14-12-29-18(22-14)15-6-5-10-30-15/h5-6,10,12-13H,3-4,7-9,11H2,1-2H3