7-butyl-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]-3-propyl-purine-2,6-dione

Systemtic Name: 7-butyl-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]-3-propyl-purine-2,6-dione Openeye Name: 7-butyl-1-[(2-phenyloxazol-4-yl)methyl]-3-propyl-purine-2,6-dione CAS Name: 7-butyl-1-[(2-phenyl-4-oxazolyl)methyl]-3-propylpurine-2,6-dione IUPAC Name: 7-butyl-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]-3-propylpurine-2,6-dione Traditional Name: 7-butyl-1-[(2-phenyloxazol-4-yl)methyl]-3-propyl-xanthine Formula: C22H25N5O3 MolecularWeight: 407.4656

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=NC2=C1C(=O)N(C(=O)N2CCC)CC3=COC(=N3)C4=CC=CC=C4

Isomeric SMILES

CCCCN1C=NC2=C1C(=O)N(C(=O)N2CCC)CC3=COC(=N3)C4=CC=CC=C4

InChI

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