3-methyl-1-[(5R)-5-oxidanylhexyl]-7-propyl-purine-2,6-dione

Systemtic Name: 3-methyl-1-[(5R)-5-oxidanylhexyl]-7-propyl-purine-2,6-dione Openeye Name: 1-[(5R)-5-hydroxyhexyl]-3-methyl-7-propyl-purine-2,6-dione CAS Name: 1-[(5R)-5-hydroxyhexyl]-3-methyl-7-propylpurine-2,6-dione IUPAC Name: 1-[(5R)-5-hydroxyhexyl]-3-methyl-7-propylpurine-2,6-dione Traditional Name: 1-[(5R)-5-hydroxyhexyl]-3-methyl-7-propyl-xanthine Formula: C15H24N4O3 MolecularWeight: 308.37606

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCC(C)O

Isomeric SMILES

CCCN1C=NC2=C1C(=O)N(C(=O)N2C)CCCC[C@@H](C)O

InChI

InChI=1S/C15H24N4O3/c1-4-8-18-10-16-13-12(18)14(21)19(15(22)17(13)3)9-6-5-7-11(2)20/h10-11,20H,4-9H2,1-3H3/t11-/m1/s1