8-chloranyl-3,7-dihydropurine-2,6-dione

Systemtic Name: 8-chloranyl-3,7-dihydropurine-2,6-dione Openeye Name: 8-chloro-3,7-dihydropurine-2,6-dione CAS Name: 8-chloro-3,7-dihydropurine-2,6-dione IUPAC Name: 8-chloro-3,7-dihydropurine-2,6-dione Traditional Name: 8-chloro-7H-xanthine Formula: C5H3ClN4O2 MolecularWeight: 186.55592

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Descriptors Computed from Structure

Canonical SMILES:

C12=C(NC(=O)NC1=O)N=C(N2)Cl

Isomeric SMILES

C12=C(NC(=O)NC1=O)N=C(N2)Cl

InChI

InChI=1S/C5H3ClN4O2/c6-4-7-1-2(8-4)9-5(12)10-3(1)11/h(H3,7,8,9,10,11,12)