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

Systemtic Name: 8-chloranyl-1-ethyl-3-(3-methoxypropyl)-7H-purine-2,6-dione Openeye Name: 8-chloro-1-ethyl-3-(3-methoxypropyl)-7H-purine-2,6-dione CAS Name: 8-chloro-1-ethyl-3-(3-methoxypropyl)-7H-purine-2,6-dione IUPAC Name: 8-chloro-1-ethyl-3-(3-methoxypropyl)-7H-purine-2,6-dione Traditional Name: 8-chloro-1-ethyl-3-(3-methoxypropyl)-7H-purine-2,6-quinone Formula: C11H15ClN4O3 MolecularWeight: 286.7148

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H15ClN4O3/c1-3-15-9(17)7-8(14-10(12)13-7)16(11(15)18)5-4-6-19-2/h3-6H2,1-2H3,(H,13,14)