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

Systemtic Name: 7-(2-methylpropyl)-3-(phenylmethyl)-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]purine-2,6-dione Openeye Name: 3-benzyl-7-isobutyl-1-[(2-phenyloxazol-4-yl)methyl]purine-2,6-dione CAS Name: 7-(2-methylpropyl)-3-(phenylmethyl)-1-[(2-phenyl-4-oxazolyl)methyl]purine-2,6-dione IUPAC Name: 3-benzyl-7-(2-methylpropyl)-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]purine-2,6-dione Traditional Name: 3-benzyl-7-isobutyl-1-[(2-phenyloxazol-4-yl)methyl]xanthine Formula: C26H25N5O3 MolecularWeight: 455.5084

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC4=COC(=N4)C5=CC=CC=C5

Isomeric SMILES

CC(C)CN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC4=COC(=N4)C5=CC=CC=C5

InChI

InChI=1S/C26H25N5O3/c1-18(2)13-29-17-27-23-22(29)25(32)31(26(33)30(23)14-19-9-5-3-6-10-19)15-21-16-34-24(28-21)20-11-7-4-8-12-20/h3-12,16-18H,13-15H2,1-2H3