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3-methyl-7-phenacyl-8-[(phenethylamino)methyl]purine-2,6-dione

3-methyl-7-phenacyl-8-[(phenethylamino)methyl]purine-2,6-dione

Systemtic Name:3-methyl-7-phenacyl-8-[(phenethylamino)methyl]purine-2,6-dione
Openeye Name:3-methyl-7-phenacyl-8-[(phenethylamino)methyl]purine-2,6-dione
CAS Name:3-methyl-7-phenacyl-8-[(phenethylamino)methyl]purine-2,6-dione
IUPAC Name:3-methyl-7-phenacyl-8-[(phenethylamino)methyl]purine-2,6-dione
Traditional Name:3-methyl-7-phenacyl-8-[(phenethylamino)methyl]xanthine
Formula: C23H23N5O3
MolecularWeight: 417.46042
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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)CNCCC3=CC=CC=C3)CC(=O)C4=CC=CC=C4


Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)CNCCC3=CC=CC=C3)CC(=O)C4=CC=CC=C4


InChI

InChI=1S/C23H23N5O3/c1-27-21-20(22(30)26-23(27)31)28(15-18(29)17-10-6-3-7-11-17)19(25-21)14-24-13-12-16-8-4-2-5-9-16/h2-11,24H,12-15H2,1H3,(H,26,30,31)


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