9-(3-chloranyl-2-oxidanyl-propyl)-1,3-dimethyl-purino[7,8-a]pyrimidine-2,4,8-trione

Systemtic Name: 9-(3-chloranyl-2-oxidanyl-propyl)-1,3-dimethyl-purino[7,8-a]pyrimidine-2,4,8-trione Openeye Name: 9-(3-chloro-2-hydroxy-propyl)-1,3-dimethyl-purino[7,8-a]pyrimidine-2,4,8-trione CAS Name: 9-(3-chloro-2-hydroxypropyl)-1,3-dimethylpurino[7,8-a]pyrimidine-2,4,8-trione IUPAC Name: 9-(3-chloro-2-hydroxypropyl)-1,3-dimethylpurino[7,8-a]pyrimidine-2,4,8-trione Traditional Name: 9-(3-chloro-2-hydroxy-propyl)-1,3-dimethyl-purino[7,8-a]pyrimidine-2,4,8-trione Formula: C13H14ClN5O4 MolecularWeight: 339.73436

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N3C=CC(=O)N(C3=N2)CC(CCl)O

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N3C=CC(=O)N(C3=N2)CC(CCl)O

InChI

InChI=1S/C13H14ClN5O4/c1-16-10-9(11(22)17(2)13(16)23)18-4-3-8(21)19(12(18)15-10)6-7(20)5-14/h3-4,7,20H,5-6H2,1-2H3