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

Systemtic Name: 3-butyl-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7-(phenylmethyl)purine-2,6-dione Openeye Name: 7-benzyl-3-butyl-1-[(3,5-dimethylisoxazol-4-yl)methyl]purine-2,6-dione CAS Name: 3-butyl-1-[(3,5-dimethyl-4-isoxazolyl)methyl]-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 7-benzyl-3-butyl-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]purine-2,6-dione Traditional Name: 7-benzyl-3-butyl-1-[(3,5-dimethylisoxazol-4-yl)methyl]xanthine Formula: C22H25N5O3 MolecularWeight: 407.4656

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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=CC=C4

Isomeric SMILES

CCCCN1C2=C(C(=O)N(C1=O)CC3=C(ON=C3C)C)N(C=N2)CC4=CC=CC=C4

InChI

InChI=1S/C22H25N5O3/c1-4-5-11-26-20-19(25(14-23-20)12-17-9-7-6-8-10-17)21(28)27(22(26)29)13-18-15(2)24-30-16(18)3/h6-10,14H,4-5,11-13H2,1-3H3