8-[2-(1H-imidazol-5-yl)ethylamino]-3-methyl-1-(5-oxidanylhexyl)-7H-purine-2,6-dione

Systemtic Name: 8-[2-(1H-imidazol-5-yl)ethylamino]-3-methyl-1-(5-oxidanylhexyl)-7H-purine-2,6-dione Openeye Name: 1-(5-hydroxyhexyl)-8-[2-(1H-imidazol-5-yl)ethylamino]-3-methyl-7H-purine-2,6-dione CAS Name: 1-(5-hydroxyhexyl)-8-[2-(1H-imidazol-5-yl)ethylamino]-3-methyl-7H-purine-2,6-dione IUPAC Name: 1-(5-hydroxyhexyl)-8-[2-(1H-imidazol-5-yl)ethylamino]-3-methyl-7H-purine-2,6-dione Traditional Name: 1-(5-hydroxyhexyl)-8-[2-(1H-imidazol-5-yl)ethylamino]-3-methyl-7H-purine-2,6-quinone Formula: C17H25N7O3 MolecularWeight: 375.4255

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCN1C(=O)C2=C(N=C(N2)NCCC3=CN=CN3)N(C1=O)C)O

Isomeric SMILES

CC(CCCCN1C(=O)C2=C(N=C(N2)NCCC3=CN=CN3)N(C1=O)C)O

InChI

InChI=1S/C17H25N7O3/c1-11(25)5-3-4-8-24-15(26)13-14(23(2)17(24)27)22-16(21-13)19-7-6-12-9-18-10-20-12/h9-11,25H,3-8H2,1-2H3,(H,18,20)(H2,19,21,22)