3-butyl-8-(hydroxymethyl)-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]-7-propyl-purine-2,6-dione

Systemtic Name: 3-butyl-8-(hydroxymethyl)-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]-7-propyl-purine-2,6-dione Openeye Name: 3-butyl-8-(hydroxymethyl)-1-[(2-phenyloxazol-4-yl)methyl]-7-propyl-purine-2,6-dione CAS Name: 3-butyl-8-(hydroxymethyl)-1-[(2-phenyl-4-oxazolyl)methyl]-7-propylpurine-2,6-dione IUPAC Name: 3-butyl-8-(hydroxymethyl)-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]-7-propylpurine-2,6-dione Traditional Name: 3-butyl-8-methylol-1-[(2-phenyloxazol-4-yl)methyl]-7-propyl-xanthine Formula: C23H27N5O4 MolecularWeight: 437.49158

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)N(C1=O)CC3=COC(=N3)C4=CC=CC=C4)N(C(=N2)CO)CCC

Isomeric SMILES

CCCCN1C2=C(C(=O)N(C1=O)CC3=COC(=N3)C4=CC=CC=C4)N(C(=N2)CO)CCC

InChI

InChI=1S/C23H27N5O4/c1-3-5-12-27-20-19(26(11-4-2)18(14-29)25-20)22(30)28(23(27)31)13-17-15-32-21(24-17)16-9-7-6-8-10-16/h6-10,15,29H,3-5,11-14H2,1-2H3