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3-phenethyl-7H-purine-2,6-dione

3-phenethyl-7H-purine-2,6-dione

Systemtic Name:3-phenethyl-7H-purine-2,6-dione
Openeye Name:3-phenethyl-7H-purine-2,6-dione
CAS Name:3-phenethyl-7H-purine-2,6-dione
IUPAC Name:3-phenethyl-7H-purine-2,6-dione
Traditional Name:3-phenethyl-7H-purine-2,6-quinone
Formula: C13H12N4O2
MolecularWeight: 256.25998
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C3=C(C(=O)NC2=O)NC=N3


Isomeric SMILES

C1=CC=C(C=C1)CCN2C3=C(C(=O)NC2=O)NC=N3


InChI

InChI=1S/C13H12N4O2/c18-12-10-11(15-8-14-10)17(13(19)16-12)7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,14,15)(H,16,18,19)


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