8-azanyl-1,3-dimethyl-7-(2-phenylethanoyl)purine-2,6-dione

Systemtic Name: 8-azanyl-1,3-dimethyl-7-(2-phenylethanoyl)purine-2,6-dione Openeye Name: 8-amino-1,3-dimethyl-7-(2-phenylacetyl)purine-2,6-dione CAS Name: 8-amino-1,3-dimethyl-7-(1-oxo-2-phenylethyl)purine-2,6-dione IUPAC Name: 8-amino-1,3-dimethyl-7-(2-phenylacetyl)purine-2,6-dione Traditional Name: 8-amino-1,3-dimethyl-7-(2-phenylacetyl)xanthine Formula: C15H15N5O3 MolecularWeight: 313.3113

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N)C(=O)CC3=CC=CC=C3

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N)C(=O)CC3=CC=CC=C3

InChI

InChI=1S/C15H15N5O3/c1-18-12-11(13(22)19(2)15(18)23)20(14(16)17-12)10(21)8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3,(H2,16,17)