8-chloranyl-1-ethyl-3-(2-methylprop-2-enyl)-7H-purine-2,6-dione

Systemtic Name: 8-chloranyl-1-ethyl-3-(2-methylprop-2-enyl)-7H-purine-2,6-dione Openeye Name: 8-chloro-1-ethyl-3-(2-methylallyl)-7H-purine-2,6-dione CAS Name: 8-chloro-1-ethyl-3-(2-methylprop-2-enyl)-7H-purine-2,6-dione IUPAC Name: 8-chloro-1-ethyl-3-(2-methylprop-2-enyl)-7H-purine-2,6-dione Traditional Name: 8-chloro-1-ethyl-3-(2-methylallyl)-7H-purine-2,6-quinone Formula: C11H13ClN4O2 MolecularWeight: 268.69952

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(N=C(N2)Cl)N(C1=O)CC(=C)C

Isomeric SMILES

CCN1C(=O)C2=C(N=C(N2)Cl)N(C1=O)CC(=C)C

InChI

InChI=1S/C11H13ClN4O2/c1-4-15-9(17)7-8(14-10(12)13-7)16(11(15)18)5-6(2)3/h2,4-5H2,1,3H3,(H,13,14)