3-(2-chloroethyl)-7H-purine-2,6-dione

Systemtic Name: 3-(2-chloroethyl)-7H-purine-2,6-dione Openeye Name: 3-(2-chloroethyl)-7H-purine-2,6-dione CAS Name: 3-(2-chloroethyl)-7H-purine-2,6-dione IUPAC Name: 3-(2-chloroethyl)-7H-purine-2,6-dione Traditional Name: 3-(2-chloroethyl)-7H-purine-2,6-quinone Formula: C7H7ClN4O2 MolecularWeight: 214.60908

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1)C(=O)NC(=O)N2CCCl

Isomeric SMILES

C1=NC2=C(N1)C(=O)NC(=O)N2CCCl

InChI

InChI=1S/C7H7ClN4O2/c8-1-2-12-5-4(9-3-10-5)6(13)11-7(12)14/h3H,1-2H2,(H,9,10)(H,11,13,14)