1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-9-phenyl-7-prop-2-ynyl-purine-6,8-dione

Systemtic Name: 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-9-phenyl-7-prop-2-ynyl-purine-6,8-dione Openeye Name: 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-9-phenyl-7-prop-2-ynyl-purine-6,8-dione CAS Name: 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-9-phenyl-7-prop-2-ynylpurine-6,8-dione IUPAC Name: 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-9-phenyl-7-prop-2-ynylpurine-6,8-dione Traditional Name: 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-9-phenyl-7-propargyl-purine-6,8-quinone Formula: C26H15Cl3N4O2 MolecularWeight: 521.7819

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN1C2=C(N=C(N(C2=O)C3=CC=C(C=C3)Cl)C4=C(C=C(C=C4)Cl)Cl)N(C1=O)C5=CC=CC=C5

Isomeric SMILES

C#CCN1C2=C(N=C(N(C2=O)C3=CC=C(C=C3)Cl)C4=C(C=C(C=C4)Cl)Cl)N(C1=O)C5=CC=CC=C5

InChI

InChI=1S/C26H15Cl3N4O2/c1-2-14-31-22-24(33(26(31)35)18-6-4-3-5-7-18)30-23(20-13-10-17(28)15-21(20)29)32(25(22)34)19-11-8-16(27)9-12-19/h1,3-13,15H,14H2