8-[[(2E)-3,7-dimethylocta-2,6-dienyl]amino]-3-methyl-1-(5-oxidanylhexyl)-7H-purine-2,6-dione

Systemtic Name: 8-[[(2E)-3,7-dimethylocta-2,6-dienyl]amino]-3-methyl-1-(5-oxidanylhexyl)-7H-purine-2,6-dione Openeye Name: 8-[[(2E)-3,7-dimethylocta-2,6-dienyl]amino]-1-(5-hydroxyhexyl)-3-methyl-7H-purine-2,6-dione CAS Name: 8-[[(2E)-3,7-dimethylocta-2,6-dienyl]amino]-1-(5-hydroxyhexyl)-3-methyl-7H-purine-2,6-dione IUPAC Name: 8-[[(2E)-3,7-dimethylocta-2,6-dienyl]amino]-1-(5-hydroxyhexyl)-3-methyl-7H-purine-2,6-dione Traditional Name: 8-[[(2E)-3,7-dimethylocta-2,6-dienyl]amino]-1-(5-hydroxyhexyl)-3-methyl-7H-purine-2,6-quinone Formula: C22H35N5O3 MolecularWeight: 417.545

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCN1C(=O)C2=C(N=C(N2)NCC=C(C)CCC=C(C)C)N(C1=O)C)O

Isomeric SMILES

CC(CCCCN1C(=O)C2=C(N=C(N2)NC/C=C(\C)/CCC=C(C)C)N(C1=O)C)O

InChI

InChI=1S/C22H35N5O3/c1-15(2)9-8-10-16(3)12-13-23-21-24-18-19(25-21)26(5)22(30)27(20(18)29)14-7-6-11-17(4)28/h9,12,17,28H,6-8,10-11,13-14H2,1-5H3,(H2,23,24,25)/b16-12+