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3-butyl-7-ethyl-8-[[(2-phenoxyphenyl)amino]methyl]purine-2,6-dione

3-butyl-7-ethyl-8-[[(2-phenoxyphenyl)amino]methyl]purine-2,6-dione

Systemtic Name:3-butyl-7-ethyl-8-[[(2-phenoxyphenyl)amino]methyl]purine-2,6-dione
Openeye Name:3-butyl-7-ethyl-8-[(2-phenoxyanilino)methyl]purine-2,6-dione
CAS Name:3-butyl-7-ethyl-8-[(2-phenoxyanilino)methyl]purine-2,6-dione
IUPAC Name:3-butyl-7-ethyl-8-[(2-phenoxyanilino)methyl]purine-2,6-dione
Traditional Name:3-butyl-7-ethyl-8-[(2-phenoxyanilino)methyl]xanthine
Formula: C24H27N5O3
MolecularWeight: 433.50288
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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CNC3=CC=CC=C3OC4=CC=CC=C4)CC


Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CNC3=CC=CC=C3OC4=CC=CC=C4)CC


InChI

InChI=1S/C24H27N5O3/c1-3-5-15-29-22-21(23(30)27-24(29)31)28(4-2)20(26-22)16-25-18-13-9-10-14-19(18)32-17-11-7-6-8-12-17/h6-14,25H,3-5,15-16H2,1-2H3,(H,27,30,31)


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