7-(3-chloranyl-2-oxidanyl-propyl)-1,3-dimethyl-8-(propylamino)purine-2,6-dione

Systemtic Name: 7-(3-chloranyl-2-oxidanyl-propyl)-1,3-dimethyl-8-(propylamino)purine-2,6-dione Openeye Name: 7-(3-chloro-2-hydroxy-propyl)-1,3-dimethyl-8-(propylamino)purine-2,6-dione CAS Name: 7-(3-chloro-2-hydroxypropyl)-1,3-dimethyl-8-(propylamino)purine-2,6-dione IUPAC Name: 7-(3-chloro-2-hydroxypropyl)-1,3-dimethyl-8-(propylamino)purine-2,6-dione Traditional Name: 7-(3-chloro-2-hydroxy-propyl)-1,3-dimethyl-8-(propylamino)xanthine Formula: C13H20ClN5O3 MolecularWeight: 329.7826

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=NC2=C(N1CC(CCl)O)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CCCNC1=NC2=C(N1CC(CCl)O)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C13H20ClN5O3/c1-4-5-15-12-16-10-9(19(12)7-8(20)6-14)11(21)18(3)13(22)17(10)2/h8,20H,4-7H2,1-3H3,(H,15,16)