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

Systemtic Name: 3-butyl-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7-(furan-2-ylmethyl)purine-2,6-dione Openeye Name: 3-butyl-1-[(3,5-dimethylisoxazol-4-yl)methyl]-7-(2-furylmethyl)purine-2,6-dione CAS Name: 3-butyl-1-[(3,5-dimethyl-4-isoxazolyl)methyl]-7-(2-furanylmethyl)purine-2,6-dione IUPAC Name: 3-butyl-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7-(furan-2-ylmethyl)purine-2,6-dione Traditional Name: 3-butyl-1-[(3,5-dimethylisoxazol-4-yl)methyl]-7-(2-furfuryl)xanthine Formula: C20H23N5O4 MolecularWeight: 397.42772

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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)CC4=CC=CO4

Isomeric SMILES

CCCCN1C2=C(C(=O)N(C1=O)CC3=C(ON=C3C)C)N(C=N2)CC4=CC=CO4

InChI

InChI=1S/C20H23N5O4/c1-4-5-8-24-18-17(23(12-21-18)10-15-7-6-9-28-15)19(26)25(20(24)27)11-16-13(2)22-29-14(16)3/h6-7,9,12H,4-5,8,10-11H2,1-3H3