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1,3-dimethyl-8-(phenethylamino)-7-(3-phenylpropyl)purine-2,6-dione

1,3-dimethyl-8-(phenethylamino)-7-(3-phenylpropyl)purine-2,6-dione

Systemtic Name:1,3-dimethyl-8-(phenethylamino)-7-(3-phenylpropyl)purine-2,6-dione
Openeye Name:1,3-dimethyl-8-(phenethylamino)-7-(3-phenylpropyl)purine-2,6-dione
CAS Name:1,3-dimethyl-8-(phenethylamino)-7-(3-phenylpropyl)purine-2,6-dione
IUPAC Name:1,3-dimethyl-8-(phenethylamino)-7-(3-phenylpropyl)purine-2,6-dione
Traditional Name:1,3-dimethyl-8-(phenethylamino)-7-(3-phenylpropyl)xanthine
Formula: C24H27N5O2
MolecularWeight: 417.50348
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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCCC3=CC=CC=C3)CCCC4=CC=CC=C4


Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCCC3=CC=CC=C3)CCCC4=CC=CC=C4


InChI

InChI=1S/C24H27N5O2/c1-27-21-20(22(30)28(2)24(27)31)29(17-9-14-18-10-5-3-6-11-18)23(26-21)25-16-15-19-12-7-4-8-13-19/h3-8,10-13H,9,14-17H2,1-2H3,(H,25,26)


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