2-[2-(6-azanyl-7H-purin-8-yl)-2-oxidanylidene-ethyl]-3-(2-chlorophenyl)-7-fluoranyl-quinazolin-4-one

Systemtic Name: 2-[2-(6-azanyl-7H-purin-8-yl)-2-oxidanylidene-ethyl]-3-(2-chlorophenyl)-7-fluoranyl-quinazolin-4-one Openeye Name: 2-[2-(6-amino-7H-purin-8-yl)-2-oxo-ethyl]-3-(2-chlorophenyl)-7-fluoro-quinazolin-4-one CAS Name: 2-[2-(6-amino-7H-purin-8-yl)-2-oxoethyl]-3-(2-chlorophenyl)-7-fluoro-4-quinazolinone IUPAC Name: 2-[2-(6-amino-7H-purin-8-yl)-2-oxoethyl]-3-(2-chlorophenyl)-7-fluoroquinazolin-4-one Traditional Name: 2-[2-(6-amino-7H-purin-8-yl)-2-keto-ethyl]-3-(2-chlorophenyl)-7-fluoro-quinazolin-4-one Formula: C21H13ClFN7O2 MolecularWeight: 449.825023

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)N2C(=NC3=C(C2=O)C=CC(=C3)F)CC(=O)C4=NC5=C(N4)C(=NC=N5)N)Cl

Isomeric SMILES

C1=CC=C(C(=C1)N2C(=NC3=C(C2=O)C=CC(=C3)F)CC(=O)C4=NC5=C(N4)C(=NC=N5)N)Cl

InChI

InChI=1S/C21H13ClFN7O2/c22-12-3-1-2-4-14(12)30-16(27-13-7-10(23)5-6-11(13)21(30)32)8-15(31)19-28-17-18(24)25-9-26-20(17)29-19/h1-7,9H,8H2,(H3,24,25,26,28,29)