3-butyl-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-8-(hydroxymethyl)-7-propyl-purine-2,6-dione

Systemtic Name: 3-butyl-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-8-(hydroxymethyl)-7-propyl-purine-2,6-dione Openeye Name: 3-butyl-1-[(3,5-dimethylisoxazol-4-yl)methyl]-8-(hydroxymethyl)-7-propyl-purine-2,6-dione CAS Name: 3-butyl-1-[(3,5-dimethyl-4-isoxazolyl)methyl]-8-(hydroxymethyl)-7-propylpurine-2,6-dione IUPAC Name: 3-butyl-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-8-(hydroxymethyl)-7-propylpurine-2,6-dione Traditional Name: 3-butyl-1-[(3,5-dimethylisoxazol-4-yl)methyl]-8-methylol-7-propyl-xanthine Formula: C19H27N5O4 MolecularWeight: 389.44878

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)N(C1=O)CC3=C(ON=C3C)C)N(C(=N2)CO)CCC

Isomeric SMILES

CCCCN1C2=C(C(=O)N(C1=O)CC3=C(ON=C3C)C)N(C(=N2)CO)CCC

InChI

InChI=1S/C19H27N5O4/c1-5-7-9-23-17-16(22(8-6-2)15(11-25)20-17)18(26)24(19(23)27)10-14-12(3)21-28-13(14)4/h25H,5-11H2,1-4H3