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

Systemtic Name: 3-methyl-1-(5-oxidanylhexyl)-8-[2-(propylamino)ethylamino]-7H-purine-2,6-dione Openeye Name: 1-(5-hydroxyhexyl)-3-methyl-8-[2-(propylamino)ethylamino]-7H-purine-2,6-dione CAS Name: 1-(5-hydroxyhexyl)-3-methyl-8-[2-(propylamino)ethylamino]-7H-purine-2,6-dione IUPAC Name: 1-(5-hydroxyhexyl)-3-methyl-8-[2-(propylamino)ethylamino]-7H-purine-2,6-dione Traditional Name: 1-(5-hydroxyhexyl)-3-methyl-8-[2-(propylamino)ethylamino]-7H-purine-2,6-quinone Formula: C17H30N6O3 MolecularWeight: 366.4585

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Descriptors Computed from Structure

Canonical SMILES:

CCCNCCNC1=NC2=C(N1)C(=O)N(C(=O)N2C)CCCCC(C)O

Isomeric SMILES

CCCNCCNC1=NC2=C(N1)C(=O)N(C(=O)N2C)CCCCC(C)O

InChI

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