3-butyl-7-(furan-2-ylmethyl)-1-[(3-methyl-1,2-oxazol-5-yl)methyl]purine-2,6-dione

Systemtic Name: 3-butyl-7-(furan-2-ylmethyl)-1-[(3-methyl-1,2-oxazol-5-yl)methyl]purine-2,6-dione Openeye Name: 3-butyl-7-(2-furylmethyl)-1-[(3-methylisoxazol-5-yl)methyl]purine-2,6-dione CAS Name: 3-butyl-7-(2-furanylmethyl)-1-[(3-methyl-5-isoxazolyl)methyl]purine-2,6-dione IUPAC Name: 3-butyl-7-(furan-2-ylmethyl)-1-[(3-methyl-1,2-oxazol-5-yl)methyl]purine-2,6-dione Traditional Name: 3-butyl-7-(2-furfuryl)-1-[(3-methylisoxazol-5-yl)methyl]xanthine Formula: C19H21N5O4 MolecularWeight: 383.40114

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)N(C1=O)CC3=CC(=NO3)C)N(C=N2)CC4=CC=CO4

Isomeric SMILES

CCCCN1C2=C(C(=O)N(C1=O)CC3=CC(=NO3)C)N(C=N2)CC4=CC=CO4

InChI

InChI=1S/C19H21N5O4/c1-3-4-7-23-17-16(22(12-20-17)10-14-6-5-8-27-14)18(25)24(19(23)26)11-15-9-13(2)21-28-15/h5-6,8-9,12H,3-4,7,10-11H2,1-2H3