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

Systemtic Name: 8-(2-dimethylaminoethylamino)-3,7-dimethyl-1-(5-oxidanylhexyl)purine-2,6-dione Openeye Name: 8-(2-dimethylaminoethylamino)-1-(5-hydroxyhexyl)-3,7-dimethyl-purine-2,6-dione CAS Name: 8-(2-dimethylaminoethylamino)-1-(5-hydroxyhexyl)-3,7-dimethylpurine-2,6-dione IUPAC Name: 8-(2-dimethylaminoethylamino)-1-(5-hydroxyhexyl)-3,7-dimethylpurine-2,6-dione Traditional Name: 8-(2-dimethylaminoethylamino)-1-(5-hydroxyhexyl)-3,7-dimethyl-xanthine Formula: C17H30N6O3 MolecularWeight: 366.4585

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H30N6O3/c1-12(24)8-6-7-10-23-15(25)13-14(22(5)17(23)26)19-16(21(13)4)18-9-11-20(2)3/h12,24H,6-11H2,1-5H3,(H,18,19)