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

Systemtic Name: 1-methyl-3-phenethyl-7H-purine-2,6-dione Openeye Name: 1-methyl-3-phenethyl-7H-purine-2,6-dione CAS Name: 1-methyl-3-phenethyl-7H-purine-2,6-dione IUPAC Name: 1-methyl-3-phenethyl-7H-purine-2,6-dione Traditional Name: 1-methyl-3-phenethyl-7H-purine-2,6-quinone Formula: C14H14N4O2 MolecularWeight: 270.28656

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(N=CN2)N(C1=O)CCC3=CC=CC=C3

Isomeric SMILES

CN1C(=O)C2=C(N=CN2)N(C1=O)CCC3=CC=CC=C3

InChI

InChI=1S/C14H14N4O2/c1-17-13(19)11-12(16-9-15-11)18(14(17)20)8-7-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,15,16)