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

Systemtic Name: 7-ethyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-(phenylmethyl)purine-2,6-dione Openeye Name: 3-benzyl-7-ethyl-1-[(3-methylisoxazol-5-yl)methyl]purine-2,6-dione CAS Name: 7-ethyl-1-[(3-methyl-5-isoxazolyl)methyl]-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 3-benzyl-7-ethyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]purine-2,6-dione Traditional Name: 3-benzyl-7-ethyl-1-[(3-methylisoxazol-5-yl)methyl]xanthine Formula: C19H19N5O3 MolecularWeight: 365.38586

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC4=CC(=NO4)C

Isomeric SMILES

CCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC4=CC(=NO4)C

InChI

InChI=1S/C19H19N5O3/c1-3-22-12-20-17-16(22)18(25)24(11-15-9-13(2)21-27-15)19(26)23(17)10-14-7-5-4-6-8-14/h4-9,12H,3,10-11H2,1-2H3