8-[2-(cyclohexen-1-yl)ethylamino]-3,7-dimethyl-1-(5-oxidanylhexyl)purine-2,6-dione

Systemtic Name: 8-[2-(cyclohexen-1-yl)ethylamino]-3,7-dimethyl-1-(5-oxidanylhexyl)purine-2,6-dione Openeye Name: 8-[2-(cyclohexen-1-yl)ethylamino]-1-(5-hydroxyhexyl)-3,7-dimethyl-purine-2,6-dione CAS Name: 8-[2-(1-cyclohexenyl)ethylamino]-1-(5-hydroxyhexyl)-3,7-dimethylpurine-2,6-dione IUPAC Name: 8-[2-(cyclohexen-1-yl)ethylamino]-1-(5-hydroxyhexyl)-3,7-dimethylpurine-2,6-dione Traditional Name: 8-[2-(cyclohexen-1-yl)ethylamino]-1-(5-hydroxyhexyl)-3,7-dimethyl-xanthine Formula: C21H33N5O3 MolecularWeight: 403.51842

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCN1C(=O)C2=C(N=C(N2C)NCCC3=CCCCC3)N(C1=O)C)O

Isomeric SMILES

CC(CCCCN1C(=O)C2=C(N=C(N2C)NCCC3=CCCCC3)N(C1=O)C)O

InChI

InChI=1S/C21H33N5O3/c1-15(27)9-7-8-14-26-19(28)17-18(25(3)21(26)29)23-20(24(17)2)22-13-12-16-10-5-4-6-11-16/h10,15,27H,4-9,11-14H2,1-3H3,(H,22,23)