6-chloranyl-1,3-dimethyl-7-(2-phenylethynyl)pteridine-2,4-dione

Systemtic Name: 6-chloranyl-1,3-dimethyl-7-(2-phenylethynyl)pteridine-2,4-dione Openeye Name: 6-chloro-1,3-dimethyl-7-(2-phenylethynyl)pteridine-2,4-dione CAS Name: 6-chloro-1,3-dimethyl-7-(2-phenylethynyl)pteridine-2,4-dione IUPAC Name: 6-chloro-1,3-dimethyl-7-(2-phenylethynyl)pteridine-2,4-dione Traditional Name: 6-chloro-1,3-dimethyl-7-(2-phenylethynyl)pteridine-2,4-quinone Formula: C16H11ClN4O2 MolecularWeight: 326.73714

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=NC(=C(N=C2C(=O)N(C1=O)C)Cl)C#CC3=CC=CC=C3

Isomeric SMILES

CN1C2=NC(=C(N=C2C(=O)N(C1=O)C)Cl)C#CC3=CC=CC=C3

InChI

InChI=1S/C16H11ClN4O2/c1-20-14-12(15(22)21(2)16(20)23)19-13(17)11(18-14)9-8-10-6-4-3-5-7-10/h3-7H,1-2H3