3-(4-chlorophenyl)-8-ethyl-1-methyl-7H-purine-2,6-dione

Systemtic Name: 3-(4-chlorophenyl)-8-ethyl-1-methyl-7H-purine-2,6-dione Openeye Name: 3-(4-chlorophenyl)-8-ethyl-1-methyl-7H-purine-2,6-dione CAS Name: 3-(4-chlorophenyl)-8-ethyl-1-methyl-7H-purine-2,6-dione IUPAC Name: 3-(4-chlorophenyl)-8-ethyl-1-methyl-7H-purine-2,6-dione Traditional Name: 3-(4-chlorophenyl)-8-ethyl-1-methyl-7H-purine-2,6-quinone Formula: C14H13ClN4O2 MolecularWeight: 304.73162

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(N1)C(=O)N(C(=O)N2C3=CC=C(C=C3)Cl)C

Isomeric SMILES

CCC1=NC2=C(N1)C(=O)N(C(=O)N2C3=CC=C(C=C3)Cl)C

InChI

InChI=1S/C14H13ClN4O2/c1-3-10-16-11-12(17-10)19(14(21)18(2)13(11)20)9-6-4-8(15)5-7-9/h4-7H,3H2,1-2H3,(H,16,17)