1-methyl-9-phenethyl-3H-purine-2,6-dione

Systemtic Name: 1-methyl-9-phenethyl-3H-purine-2,6-dione Openeye Name: 1-methyl-9-phenethyl-3H-purine-2,6-dione CAS Name: 1-methyl-9-phenethyl-3H-purine-2,6-dione IUPAC Name: 1-methyl-9-phenethyl-3H-purine-2,6-dione Traditional Name: 1-methyl-9-phenethyl-xanthine Formula: C14H14N4O2 MolecularWeight: 270.28656

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(NC1=O)N(C=N2)CCC3=CC=CC=C3

Isomeric SMILES

CN1C(=O)C2=C(NC1=O)N(C=N2)CCC3=CC=CC=C3

InChI

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