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

Systemtic Name: 3,7-dibutyl-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]purine-2,6-dione Openeye Name: 3,7-dibutyl-1-[(2-phenyloxazol-4-yl)methyl]purine-2,6-dione CAS Name: 3,7-dibutyl-1-[(2-phenyl-4-oxazolyl)methyl]purine-2,6-dione IUPAC Name: 3,7-dibutyl-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]purine-2,6-dione Traditional Name: 3,7-dibutyl-1-[(2-phenyloxazol-4-yl)methyl]xanthine Formula: C23H27N5O3 MolecularWeight: 421.49218

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=NC2=C1C(=O)N(C(=O)N2CCCC)CC3=COC(=N3)C4=CC=CC=C4

Isomeric SMILES

CCCCN1C=NC2=C1C(=O)N(C(=O)N2CCCC)CC3=COC(=N3)C4=CC=CC=C4

InChI

InChI=1S/C23H27N5O3/c1-3-5-12-26-16-24-20-19(26)22(29)28(23(30)27(20)13-6-4-2)14-18-15-31-21(25-18)17-10-8-7-9-11-17/h7-11,15-16H,3-6,12-14H2,1-2H3