7-ethyl-3-methyl-1-(6-oxidanylhexyl)purine-2,6-dione

Systemtic Name: 7-ethyl-3-methyl-1-(6-oxidanylhexyl)purine-2,6-dione Openeye Name: 7-ethyl-1-(6-hydroxyhexyl)-3-methyl-purine-2,6-dione CAS Name: 7-ethyl-1-(6-hydroxyhexyl)-3-methylpurine-2,6-dione IUPAC Name: 7-ethyl-1-(6-hydroxyhexyl)-3-methylpurine-2,6-dione Traditional Name: 7-ethyl-1-(6-hydroxyhexyl)-3-methyl-xanthine Formula: C14H22N4O3 MolecularWeight: 294.34948

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCCCO

Isomeric SMILES

CCN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCCCO

InChI

InChI=1S/C14H22N4O3/c1-3-17-10-15-12-11(17)13(20)18(14(21)16(12)2)8-6-4-5-7-9-19/h10,19H,3-9H2,1-2H3