7-(4-aminophenyl)carbonyl-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-(4-aminophenyl)carbonyl-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-(4-aminobenzoyl)-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(4-aminophenyl)-oxomethyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-(4-aminobenzoyl)-1,3-dimethylpurine-2,6-dione Traditional Name: 7-(4-aminobenzoyl)-1,3-dimethyl-xanthine Formula: C14H13N5O3 MolecularWeight: 299.28472

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13N5O3/c1-17-11-10(13(21)18(2)14(17)22)19(7-16-11)12(20)8-3-5-9(15)6-4-8/h3-7H,15H2,1-2H3