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

Systemtic Name: 8-chloranyl-7-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-chloro-7-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-chloro-7-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-chloro-7-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-chloro-7-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-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)Cl)CC3COC4=CC=CC=C4O3

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Cl)C[C@H]3COC4=CC=CC=C4O3

InChI

InChI=1S/C16H15ClN4O4/c1-19-13-12(14(22)20(2)16(19)23)21(15(17)18-13)7-9-8-24-10-5-3-4-6-11(10)25-9/h3-6,9H,7-8H2,1-2H3/t9-/m0/s1