1-(3-chloranyl-2-oxidanyl-propyl)-3,7-dimethyl-purine-2,6-dione

Systemtic Name: 1-(3-chloranyl-2-oxidanyl-propyl)-3,7-dimethyl-purine-2,6-dione Openeye Name: 1-(3-chloro-2-hydroxy-propyl)-3,7-dimethyl-purine-2,6-dione CAS Name: 1-(3-chloro-2-hydroxypropyl)-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-(3-chloro-2-hydroxypropyl)-3,7-dimethylpurine-2,6-dione Traditional Name: 1-(3-chloro-2-hydroxy-propyl)-3,7-dimethyl-xanthine Formula: C10H13ClN4O3 MolecularWeight: 272.68822

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CC(CCl)O

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CC(CCl)O

InChI

InChI=1S/C10H13ClN4O3/c1-13-5-12-8-7(13)9(17)15(4-6(16)3-11)10(18)14(8)2/h5-6,16H,3-4H2,1-2H3