8-chloranyl-3-pentyl-7H-purine-2,6-dione

Systemtic Name: 8-chloranyl-3-pentyl-7H-purine-2,6-dione Openeye Name: 8-chloro-3-pentyl-7H-purine-2,6-dione CAS Name: 8-chloro-3-pentyl-7H-purine-2,6-dione IUPAC Name: 8-chloro-3-pentyl-7H-purine-2,6-dione Traditional Name: 3-amyl-8-chloro-7H-purine-2,6-quinone Formula: C10H13ClN4O2 MolecularWeight: 256.68882

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C2=C(C(=O)NC1=O)NC(=N2)Cl

Isomeric SMILES

CCCCCN1C2=C(C(=O)NC1=O)NC(=N2)Cl

InChI

InChI=1S/C10H13ClN4O2/c1-2-3-4-5-15-7-6(12-9(11)13-7)8(16)14-10(15)17/h2-5H2,1H3,(H,12,13)(H,14,16,17)