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

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

Systemtic Name:3-methyl-8-(phenethylamino)-7-(3-phenylpropyl)purine-2,6-dione
Openeye Name:3-methyl-8-(phenethylamino)-7-(3-phenylpropyl)purine-2,6-dione
CAS Name:3-methyl-8-(phenethylamino)-7-(3-phenylpropyl)purine-2,6-dione
IUPAC Name:3-methyl-8-(phenethylamino)-7-(3-phenylpropyl)purine-2,6-dione
Traditional Name:3-methyl-8-(phenethylamino)-7-(3-phenylpropyl)xanthine
Formula: C23H25N5O2
MolecularWeight: 403.4769
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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCCC3=CC=CC=C3)CCCC4=CC=CC=C4


Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCCC3=CC=CC=C3)CCCC4=CC=CC=C4


InChI

InChI=1S/C23H25N5O2/c1-27-20-19(21(29)26-23(27)30)28(16-8-13-17-9-4-2-5-10-17)22(25-20)24-15-14-18-11-6-3-7-12-18/h2-7,9-12H,8,13-16H2,1H3,(H,24,25)(H,26,29,30)


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