3,7-dimethyl-1-[(5R)-5-oxidanylhexyl]-9H-purine-2,6,8-trione

Systemtic Name: 3,7-dimethyl-1-[(5R)-5-oxidanylhexyl]-9H-purine-2,6,8-trione Openeye Name: 1-[(5R)-5-hydroxyhexyl]-3,7-dimethyl-9H-purine-2,6,8-trione CAS Name: 1-[(5R)-5-hydroxyhexyl]-3,7-dimethyl-9H-purine-2,6,8-trione IUPAC Name: 1-[(5R)-5-hydroxyhexyl]-3,7-dimethyl-9H-purine-2,6,8-trione Traditional Name: 1-[(5R)-5-hydroxyhexyl]-3,7-dimethyl-9H-purine-2,6,8-trione Formula: C13H20N4O4 MolecularWeight: 296.3223

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCN1C(=O)C2=C(NC(=O)N2C)N(C1=O)C)O

Isomeric SMILES

C[C@H](CCCCN1C(=O)C2=C(NC(=O)N2C)N(C1=O)C)O

InChI

InChI=1S/C13H20N4O4/c1-8(18)6-4-5-7-17-11(19)9-10(16(3)13(17)21)14-12(20)15(9)2/h8,18H,4-7H2,1-3H3,(H,14,20)/t8-/m1/s1