3,7-dimethyl-1-(4-oxidanylpentyl)purine-2,6-dione

Systemtic Name: 3,7-dimethyl-1-(4-oxidanylpentyl)purine-2,6-dione Openeye Name: 1-(4-hydroxypentyl)-3,7-dimethyl-purine-2,6-dione CAS Name: 1-(4-hydroxypentyl)-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-(4-hydroxypentyl)-3,7-dimethylpurine-2,6-dione Traditional Name: 1-(4-hydroxypentyl)-3,7-dimethyl-xanthine Formula: C12H18N4O3 MolecularWeight: 266.29632

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCN1C(=O)C2=C(N=CN2C)N(C1=O)C)O

Isomeric SMILES

CC(CCCN1C(=O)C2=C(N=CN2C)N(C1=O)C)O

InChI

InChI=1S/C12H18N4O3/c1-8(17)5-4-6-16-11(18)9-10(13-7-14(9)2)15(3)12(16)19/h7-8,17H,4-6H2,1-3H3