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

Systemtic Name: 7-(2-methoxyethyl)-3-(phenylmethyl)-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]purine-2,6-dione Openeye Name: 3-benzyl-7-(2-methoxyethyl)-1-[(2-phenyloxazol-4-yl)methyl]purine-2,6-dione CAS Name: 7-(2-methoxyethyl)-3-(phenylmethyl)-1-[(2-phenyl-4-oxazolyl)methyl]purine-2,6-dione IUPAC Name: 3-benzyl-7-(2-methoxyethyl)-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]purine-2,6-dione Traditional Name: 3-benzyl-7-(2-methoxyethyl)-1-[(2-phenyloxazol-4-yl)methyl]xanthine Formula: C25H23N5O4 MolecularWeight: 457.48122

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC4=COC(=N4)C5=CC=CC=C5

Isomeric SMILES

COCCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC4=COC(=N4)C5=CC=CC=C5

InChI

InChI=1S/C25H23N5O4/c1-33-13-12-28-17-26-22-21(28)24(31)30(25(32)29(22)14-18-8-4-2-5-9-18)15-20-16-34-23(27-20)19-10-6-3-7-11-19/h2-11,16-17H,12-15H2,1H3