8-chloranyl-3,7-dimethyl-1-(phenylmethyl)purine-2,6-dione

Systemtic Name: 8-chloranyl-3,7-dimethyl-1-(phenylmethyl)purine-2,6-dione Openeye Name: 1-benzyl-8-chloro-3,7-dimethyl-purine-2,6-dione CAS Name: 8-chloro-3,7-dimethyl-1-(phenylmethyl)purine-2,6-dione IUPAC Name: 1-benzyl-8-chloro-3,7-dimethylpurine-2,6-dione Traditional Name: 1-benzyl-8-chloro-3,7-dimethyl-xanthine Formula: C14H13ClN4O2 MolecularWeight: 304.73162

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1Cl)N(C(=O)N(C2=O)CC3=CC=CC=C3)C

Isomeric SMILES

CN1C2=C(N=C1Cl)N(C(=O)N(C2=O)CC3=CC=CC=C3)C

InChI

InChI=1S/C14H13ClN4O2/c1-17-10-11(16-13(17)15)18(2)14(21)19(12(10)20)8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3