8-chloranyl-1,3-dimethyl-7-(4-oxidanylidenepentyl)purine-2,6-dione

Systemtic Name: 8-chloranyl-1,3-dimethyl-7-(4-oxidanylidenepentyl)purine-2,6-dione Openeye Name: 8-chloro-1,3-dimethyl-7-(4-oxopentyl)purine-2,6-dione CAS Name: 8-chloro-1,3-dimethyl-7-(4-oxopentyl)purine-2,6-dione IUPAC Name: 8-chloro-1,3-dimethyl-7-(4-oxopentyl)purine-2,6-dione Traditional Name: 8-chloro-7-(4-ketopentyl)-1,3-dimethyl-xanthine Formula: C12H15ClN4O3 MolecularWeight: 298.7255

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCCN1C2=C(N=C1Cl)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CC(=O)CCCN1C2=C(N=C1Cl)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C12H15ClN4O3/c1-7(18)5-4-6-17-8-9(14-11(17)13)15(2)12(20)16(3)10(8)19/h4-6H2,1-3H3