7-cyclopentyl-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(phenylmethyl)purine-2,6-dione

Systemtic Name: 7-cyclopentyl-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(phenylmethyl)purine-2,6-dione Openeye Name: 3-benzyl-7-cyclopentyl-1-[(3,5-dimethylisoxazol-4-yl)methyl]purine-2,6-dione CAS Name: 7-cyclopentyl-1-[(3,5-dimethyl-4-isoxazolyl)methyl]-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 3-benzyl-7-cyclopentyl-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]purine-2,6-dione Traditional Name: 3-benzyl-7-cyclopentyl-1-[(3,5-dimethylisoxazol-4-yl)methyl]xanthine Formula: C23H25N5O3 MolecularWeight: 419.4763

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CN2C(=O)C3=C(N=CN3C4CCCC4)N(C2=O)CC5=CC=CC=C5

Isomeric SMILES

CC1=C(C(=NO1)C)CN2C(=O)C3=C(N=CN3C4CCCC4)N(C2=O)CC5=CC=CC=C5

InChI

InChI=1S/C23H25N5O3/c1-15-19(16(2)31-25-15)13-27-22(29)20-21(24-14-28(20)18-10-6-7-11-18)26(23(27)30)12-17-8-4-3-5-9-17/h3-5,8-9,14,18H,6-7,10-13H2,1-2H3