3,7-dimethyl-1-[5-oxidanyl-6-(prop-2-enylamino)hexyl]purine-2,6-dione

Systemtic Name: 3,7-dimethyl-1-[5-oxidanyl-6-(prop-2-enylamino)hexyl]purine-2,6-dione Openeye Name: 1-[6-(allylamino)-5-hydroxy-hexyl]-3,7-dimethyl-purine-2,6-dione CAS Name: 1-[5-hydroxy-6-(prop-2-enylamino)hexyl]-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-[5-hydroxy-6-(prop-2-enylamino)hexyl]-3,7-dimethylpurine-2,6-dione Traditional Name: 1-[6-(allylamino)-5-hydroxy-hexyl]-3,7-dimethyl-xanthine Formula: C16H25N5O3 MolecularWeight: 335.4014

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCC(CNCC=C)O

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCC(CNCC=C)O

InChI

InChI=1S/C16H25N5O3/c1-4-8-17-10-12(22)7-5-6-9-21-15(23)13-14(18-11-19(13)2)20(3)16(21)24/h4,11-12,17,22H,1,5-10H2,2-3H3