3-methyl-1-(5-oxidanylhexyl)-8-[[(2S)-2-oxidanylpropyl]amino]-7H-purine-2,6-dione

Systemtic Name: 3-methyl-1-(5-oxidanylhexyl)-8-[[(2S)-2-oxidanylpropyl]amino]-7H-purine-2,6-dione Openeye Name: 1-(5-hydroxyhexyl)-8-[[(2S)-2-hydroxypropyl]amino]-3-methyl-7H-purine-2,6-dione CAS Name: 1-(5-hydroxyhexyl)-8-[[(2S)-2-hydroxypropyl]amino]-3-methyl-7H-purine-2,6-dione IUPAC Name: 1-(5-hydroxyhexyl)-8-[[(2S)-2-hydroxypropyl]amino]-3-methyl-7H-purine-2,6-dione Traditional Name: 1-(5-hydroxyhexyl)-8-[[(2S)-2-hydroxypropyl]amino]-3-methyl-7H-purine-2,6-quinone Formula: C15H25N5O4 MolecularWeight: 339.3901

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@@H](CNC1=NC2=C(N1)C(=O)N(C(=O)N2C)CCCCC(C)O)O

InChI

InChI=1S/C15H25N5O4/c1-9(21)6-4-5-7-20-13(23)11-12(19(3)15(20)24)18-14(17-11)16-8-10(2)22/h9-10,21-22H,4-8H2,1-3H3,(H2,16,17,18)/t9?,10-/m0/s1