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

Systemtic Name: 1,3-dimethyl-7-[(5-methyl-1,2-oxazol-3-yl)methyl]purine-2,6-dione Openeye Name: 1,3-dimethyl-7-[(5-methylisoxazol-3-yl)methyl]purine-2,6-dione CAS Name: 1,3-dimethyl-7-[(5-methyl-3-isoxazolyl)methyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[(5-methyl-1,2-oxazol-3-yl)methyl]purine-2,6-dione Traditional Name: 1,3-dimethyl-7-[(5-methylisoxazol-3-yl)methyl]xanthine Formula: C12H13N5O3 MolecularWeight: 275.26332

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)CN2C=NC3=C2C(=O)N(C(=O)N3C)C

Isomeric SMILES

CC1=CC(=NO1)CN2C=NC3=C2C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C12H13N5O3/c1-7-4-8(14-20-7)5-17-6-13-10-9(17)11(18)16(3)12(19)15(10)2/h4,6H,5H2,1-3H3