7-heptyl-3-methyl-8-(3-oxidanylpropylamino)purine-2,6-dione

Systemtic Name: 7-heptyl-3-methyl-8-(3-oxidanylpropylamino)purine-2,6-dione Openeye Name: 7-heptyl-8-(3-hydroxypropylamino)-3-methyl-purine-2,6-dione CAS Name: 7-heptyl-8-(3-hydroxypropylamino)-3-methylpurine-2,6-dione IUPAC Name: 7-heptyl-8-(3-hydroxypropylamino)-3-methylpurine-2,6-dione Traditional Name: 7-heptyl-8-(3-hydroxypropylamino)-3-methyl-xanthine Formula: C16H27N5O3 MolecularWeight: 337.41728

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1C2=C(N=C1NCCCO)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCCN1C2=C(N=C1NCCCO)N(C(=O)NC2=O)C

InChI

InChI=1S/C16H27N5O3/c1-3-4-5-6-7-10-21-12-13(18-15(21)17-9-8-11-22)20(2)16(24)19-14(12)23/h22H,3-11H2,1-2H3,(H,17,18)(H,19,23,24)