2-[(6-azanyl-7H-purin-8-yl)sulfanylmethyl]-3-[2-(trifluoromethyl)phenyl]quinazolin-4-one

Systemtic Name: 2-[(6-azanyl-7H-purin-8-yl)sulfanylmethyl]-3-[2-(trifluoromethyl)phenyl]quinazolin-4-one Openeye Name: 2-[(6-amino-7H-purin-8-yl)sulfanylmethyl]-3-[2-(trifluoromethyl)phenyl]quinazolin-4-one CAS Name: 2-[[(6-amino-7H-purin-8-yl)thio]methyl]-3-[2-(trifluoromethyl)phenyl]-4-quinazolinone IUPAC Name: 2-[(6-amino-7H-purin-8-yl)sulfanylmethyl]-3-[2-(trifluoromethyl)phenyl]quinazolin-4-one Traditional Name: 2-[[(6-amino-7H-purin-8-yl)thio]methyl]-3-[2-(trifluoromethyl)phenyl]quinazolin-4-one Formula: C21H14F3N7OS MolecularWeight: 469.44237

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)CSC3=NC4=C(N3)C(=NC=N4)N)C5=CC=CC=C5C(F)(F)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)CSC3=NC4=C(N3)C(=NC=N4)N)C5=CC=CC=C5C(F)(F)F

InChI

InChI=1S/C21H14F3N7OS/c22-21(23,24)12-6-2-4-8-14(12)31-15(28-13-7-3-1-5-11(13)19(31)32)9-33-20-29-16-17(25)26-10-27-18(16)30-20/h1-8,10H,9H2,(H3,25,26,27,29,30)