3,7-dimethyl-1-[5-oxidanyl-6-(propylamino)hexyl]purine-2,6-dione

Systemtic Name: 3,7-dimethyl-1-[5-oxidanyl-6-(propylamino)hexyl]purine-2,6-dione Openeye Name: 1-[5-hydroxy-6-(propylamino)hexyl]-3,7-dimethyl-purine-2,6-dione CAS Name: 1-[5-hydroxy-6-(propylamino)hexyl]-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-[5-hydroxy-6-(propylamino)hexyl]-3,7-dimethylpurine-2,6-dione Traditional Name: 1-[5-hydroxy-6-(propylamino)hexyl]-3,7-dimethyl-xanthine Formula: C16H27N5O3 MolecularWeight: 337.41728

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Descriptors Computed from Structure

Canonical SMILES:

CCCNCC(CCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C)O

Isomeric SMILES

CCCNCC(CCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C)O

InChI

InChI=1S/C16H27N5O3/c1-4-8-17-10-12(22)7-5-6-9-21-15(23)13-14(18-11-19(13)2)20(3)16(21)24/h11-12,17,22H,4-10H2,1-3H3