7-(furan-2-ylmethyl)-1-[[(2S)-oxan-2-yl]methyl]-3-(phenylmethyl)purine-2,6-dione

Systemtic Name: 7-(furan-2-ylmethyl)-1-[[(2S)-oxan-2-yl]methyl]-3-(phenylmethyl)purine-2,6-dione Openeye Name: 3-benzyl-7-(2-furylmethyl)-1-[[(2S)-tetrahydropyran-2-yl]methyl]purine-2,6-dione CAS Name: 7-(2-furanylmethyl)-1-[[(2S)-2-oxanyl]methyl]-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 3-benzyl-7-(furan-2-ylmethyl)-1-[[(2S)-oxan-2-yl]methyl]purine-2,6-dione Traditional Name: 3-benzyl-7-(2-furfuryl)-1-[[(2S)-tetrahydropyran-2-yl]methyl]xanthine Formula: C23H24N4O4 MolecularWeight: 420.46106

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Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(C1)CN2C(=O)C3=C(N=CN3CC4=CC=CO4)N(C2=O)CC5=CC=CC=C5

Isomeric SMILES

C1CCO[C@@H](C1)CN2C(=O)C3=C(N=CN3CC4=CC=CO4)N(C2=O)CC5=CC=CC=C5

InChI

InChI=1S/C23H24N4O4/c28-22-20-21(24-16-25(20)14-18-10-6-12-31-18)26(13-17-7-2-1-3-8-17)23(29)27(22)15-19-9-4-5-11-30-19/h1-3,6-8,10,12,16,19H,4-5,9,11,13-15H2/t19-/m0/s1