3,7-dimethyl-8-(methylamino)-1-(5-oxidanylhexyl)purine-2,6-dione

Systemtic Name: 3,7-dimethyl-8-(methylamino)-1-(5-oxidanylhexyl)purine-2,6-dione Openeye Name: 1-(5-hydroxyhexyl)-3,7-dimethyl-8-(methylamino)purine-2,6-dione CAS Name: 1-(5-hydroxyhexyl)-3,7-dimethyl-8-(methylamino)purine-2,6-dione IUPAC Name: 1-(5-hydroxyhexyl)-3,7-dimethyl-8-(methylamino)purine-2,6-dione Traditional Name: 1-(5-hydroxyhexyl)-3,7-dimethyl-8-(methylamino)xanthine Formula: C14H23N5O3 MolecularWeight: 309.36412

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCN1C(=O)C2=C(N=C(N2C)NC)N(C1=O)C)O

Isomeric SMILES

CC(CCCCN1C(=O)C2=C(N=C(N2C)NC)N(C1=O)C)O

InChI

InChI=1S/C14H23N5O3/c1-9(20)7-5-6-8-19-12(21)10-11(18(4)14(19)22)16-13(15-2)17(10)3/h9,20H,5-8H2,1-4H3,(H,15,16)