8-(6-chloranylpyridin-3-yl)-7-(3-fluorophenyl)-1,3-dipropyl-4,5-dihydropurine-2,6-dione

Systemtic Name: 8-(6-chloranylpyridin-3-yl)-7-(3-fluorophenyl)-1,3-dipropyl-4,5-dihydropurine-2,6-dione Openeye Name: 8-(6-chloro-3-pyridyl)-7-(3-fluorophenyl)-1,3-dipropyl-4,5-dihydropurine-2,6-dione CAS Name: 8-(6-chloro-3-pyridinyl)-7-(3-fluorophenyl)-1,3-dipropyl-4,5-dihydropurine-2,6-dione IUPAC Name: 8-(6-chloropyridin-3-yl)-7-(3-fluorophenyl)-1,3-dipropyl-4,5-dihydropurine-2,6-dione Traditional Name: 8-(6-chloro-3-pyridyl)-7-(3-fluorophenyl)-1,3-dipropyl-4,5-dihydropurine-2,6-quinone Formula: C22H23ClFN5O2 MolecularWeight: 443.901723

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2C(C(=O)N(C1=O)CCC)N(C(=N2)C3=CN=C(C=C3)Cl)C4=CC(=CC=C4)F

Isomeric SMILES

CCCN1C2C(C(=O)N(C1=O)CCC)N(C(=N2)C3=CN=C(C=C3)Cl)C4=CC(=CC=C4)F

InChI

InChI=1S/C22H23ClFN5O2/c1-3-10-27-20-18(21(30)28(11-4-2)22(27)31)29(16-7-5-6-15(24)12-16)19(26-20)14-8-9-17(23)25-13-14/h5-9,12-13,18,20H,3-4,10-11H2,1-2H3