[3-(2-chlorophenyl)-5-fluoranyl-4-oxidanylidene-quinazolin-2-yl]methyl 6-azanylpurine-9-carboxylate

Systemtic Name: [3-(2-chlorophenyl)-5-fluoranyl-4-oxidanylidene-quinazolin-2-yl]methyl 6-azanylpurine-9-carboxylate Openeye Name: [3-(2-chlorophenyl)-5-fluoro-4-oxo-quinazolin-2-yl]methyl 6-aminopurine-9-carboxylate CAS Name: 6-amino-9-purinecarboxylic acid [3-(2-chlorophenyl)-5-fluoro-4-oxo-2-quinazolinyl]methyl ester IUPAC Name: [3-(2-chlorophenyl)-5-fluoro-4-oxoquinazolin-2-yl]methyl 6-aminopurine-9-carboxylate Traditional Name: 6-aminopurine-9-carboxylic acid [3-(2-chlorophenyl)-5-fluoro-4-keto-quinazolin-2-yl]methyl ester Formula: C21H13ClFN7O3 MolecularWeight: 465.824423

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)N2C(=NC3=C(C2=O)C(=CC=C3)F)COC(=O)N4C=NC5=C4N=CN=C5N)Cl

Isomeric SMILES

C1=CC=C(C(=C1)N2C(=NC3=C(C2=O)C(=CC=C3)F)COC(=O)N4C=NC5=C4N=CN=C5N)Cl

InChI

InChI=1S/C21H13ClFN7O3/c22-11-4-1-2-7-14(11)30-15(28-13-6-3-5-12(23)16(13)20(30)31)8-33-21(32)29-10-27-17-18(24)25-9-26-19(17)29/h1-7,9-10H,8H2,(H2,24,25,26)