7-(furan-2-ylmethyl)-1-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-(phenylmethyl)purine-2,6-dione

Systemtic Name: 7-(furan-2-ylmethyl)-1-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-(phenylmethyl)purine-2,6-dione Openeye Name: 3-benzyl-7-(2-furylmethyl)-1-[(3-methylisoxazol-5-yl)methyl]purine-2,6-dione CAS Name: 7-(2-furanylmethyl)-1-[(3-methyl-5-isoxazolyl)methyl]-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 3-benzyl-7-(furan-2-ylmethyl)-1-[(3-methyl-1,2-oxazol-5-yl)methyl]purine-2,6-dione Traditional Name: 3-benzyl-7-(2-furfuryl)-1-[(3-methylisoxazol-5-yl)methyl]xanthine Formula: C22H19N5O4 MolecularWeight: 417.41736

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1)CN2C(=O)C3=C(N=CN3CC4=CC=CO4)N(C2=O)CC5=CC=CC=C5

Isomeric SMILES

CC1=NOC(=C1)CN2C(=O)C3=C(N=CN3CC4=CC=CO4)N(C2=O)CC5=CC=CC=C5

InChI

InChI=1S/C22H19N5O4/c1-15-10-18(31-24-15)13-27-21(28)19-20(23-14-25(19)12-17-8-5-9-30-17)26(22(27)29)11-16-6-3-2-4-7-16/h2-10,14H,11-13H2,1H3