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

Systemtic Name: 8-chloranyl-1,3-dimethyl-7-[(3-methyl-1,2-oxazol-5-yl)methyl]purine-2,6-dione Openeye Name: 8-chloro-1,3-dimethyl-7-[(3-methylisoxazol-5-yl)methyl]purine-2,6-dione CAS Name: 8-chloro-1,3-dimethyl-7-[(3-methyl-5-isoxazolyl)methyl]purine-2,6-dione IUPAC Name: 8-chloro-1,3-dimethyl-7-[(3-methyl-1,2-oxazol-5-yl)methyl]purine-2,6-dione Traditional Name: 8-chloro-1,3-dimethyl-7-[(3-methylisoxazol-5-yl)methyl]xanthine Formula: C12H12ClN5O3 MolecularWeight: 309.70838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1)CN2C3=C(N=C2Cl)N(C(=O)N(C3=O)C)C

Isomeric SMILES

CC1=NOC(=C1)CN2C3=C(N=C2Cl)N(C(=O)N(C3=O)C)C

InChI

InChI=1S/C12H12ClN5O3/c1-6-4-7(21-15-6)5-18-8-9(14-11(18)13)16(2)12(20)17(3)10(8)19/h4H,5H2,1-3H3