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9-phenethyl-3,7-dihydropurine-2,8-dione

9-phenethyl-3,7-dihydropurine-2,8-dione

Systemtic Name:9-phenethyl-3,7-dihydropurine-2,8-dione
Openeye Name:9-phenethyl-3,7-dihydropurine-2,8-dione
CAS Name:9-phenethyl-3,7-dihydropurine-2,8-dione
IUPAC Name:9-phenethyl-3,7-dihydropurine-2,8-dione
Traditional Name:9-phenethyl-3,7-dihydropurine-2,8-quinone
Formula: C13H12N4O2
MolecularWeight: 256.25998
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

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


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