3,7-dibutyl-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]purine-2,6-dione

Systemtic Name: 3,7-dibutyl-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]purine-2,6-dione Openeye Name: 3,7-dibutyl-1-[(3,5-dimethylisoxazol-4-yl)methyl]purine-2,6-dione CAS Name: 3,7-dibutyl-1-[(3,5-dimethyl-4-isoxazolyl)methyl]purine-2,6-dione IUPAC Name: 3,7-dibutyl-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]purine-2,6-dione Traditional Name: 3,7-dibutyl-1-[(3,5-dimethylisoxazol-4-yl)methyl]xanthine Formula: C19H27N5O3 MolecularWeight: 373.44938

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=NC2=C1C(=O)N(C(=O)N2CCCC)CC3=C(ON=C3C)C

Isomeric SMILES

CCCCN1C=NC2=C1C(=O)N(C(=O)N2CCCC)CC3=C(ON=C3C)C

InChI

InChI=1S/C19H27N5O3/c1-5-7-9-22-12-20-17-16(22)18(25)24(19(26)23(17)10-8-6-2)11-15-13(3)21-27-14(15)4/h12H,5-11H2,1-4H3