3-(2-chlorophenyl)-5-fluoranyl-2-[(7H-purin-6-ylamino)methyl]quinazolin-4-one

Systemtic Name: 3-(2-chlorophenyl)-5-fluoranyl-2-[(7H-purin-6-ylamino)methyl]quinazolin-4-one Openeye Name: 3-(2-chlorophenyl)-5-fluoro-2-[(7H-purin-6-ylamino)methyl]quinazolin-4-one CAS Name: 3-(2-chlorophenyl)-5-fluoro-2-[(7H-purin-6-ylamino)methyl]-4-quinazolinone IUPAC Name: 3-(2-chlorophenyl)-5-fluoro-2-[(7H-purin-6-ylamino)methyl]quinazolin-4-one Traditional Name: 3-(2-chlorophenyl)-5-fluoro-2-[(7H-purin-6-ylamino)methyl]quinazolin-4-one Formula: C20H13ClFN7O MolecularWeight: 421.814923

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)N2C(=NC3=C(C2=O)C(=CC=C3)F)CNC4=NC=NC5=C4NC=N5)Cl

Isomeric SMILES

C1=CC=C(C(=C1)N2C(=NC3=C(C2=O)C(=CC=C3)F)CNC4=NC=NC5=C4NC=N5)Cl

InChI

InChI=1S/C20H13ClFN7O/c21-11-4-1-2-7-14(11)29-15(28-13-6-3-5-12(22)16(13)20(29)30)8-23-18-17-19(25-9-24-17)27-10-26-18/h1-7,9-10H,8H2,(H2,23,24,25,26,27)