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

Systemtic Name: 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7-ethyl-3-(phenylmethyl)purine-2,6-dione Openeye Name: 3-benzyl-1-[(3,5-dimethylisoxazol-4-yl)methyl]-7-ethyl-purine-2,6-dione CAS Name: 1-[(3,5-dimethyl-4-isoxazolyl)methyl]-7-ethyl-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 3-benzyl-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7-ethylpurine-2,6-dione Traditional Name: 3-benzyl-1-[(3,5-dimethylisoxazol-4-yl)methyl]-7-ethyl-xanthine Formula: C20H21N5O3 MolecularWeight: 379.41244

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC4=C(ON=C4C)C

Isomeric SMILES

CCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC4=C(ON=C4C)C

InChI

InChI=1S/C20H21N5O3/c1-4-23-12-21-18-17(23)19(26)25(11-16-13(2)22-28-14(16)3)20(27)24(18)10-15-8-6-5-7-9-15/h5-9,12H,4,10-11H2,1-3H3