1-phenethyl-3,7-dihydropurine-2,6-dione

Systemtic Name: 1-phenethyl-3,7-dihydropurine-2,6-dione Openeye Name: 1-phenethyl-3,7-dihydropurine-2,6-dione CAS Name: 1-phenethyl-3,7-dihydropurine-2,6-dione IUPAC Name: 1-phenethyl-3,7-dihydropurine-2,6-dione Traditional Name: 1-phenethyl-7H-xanthine Formula: C13H12N4O2 MolecularWeight: 256.25998

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=O)C3=C(NC2=O)N=CN3

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=O)C3=C(NC2=O)N=CN3

InChI

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