7-[(5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[(5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1,3-dimethyl-xanthine Formula: C16H15ClN4O4 MolecularWeight: 362.7677

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC3=CC4=C(C(=C3)Cl)OCCO4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC3=CC4=C(C(=C3)Cl)OCCO4

InChI

InChI=1S/C16H15ClN4O4/c1-19-14-12(15(22)20(2)16(19)23)21(8-18-14)7-9-5-10(17)13-11(6-9)24-3-4-25-13/h5-6,8H,3-4,7H2,1-2H3