6-nitro-N-(phenylmethyl)-7-[2,2,2-tris(fluoranyl)ethylsulfonyl]quinazolin-4-amine

Systemtic Name: 6-nitro-N-(phenylmethyl)-7-[2,2,2-tris(fluoranyl)ethylsulfonyl]quinazolin-4-amine Openeye Name: N-benzyl-6-nitro-7-(2,2,2-trifluoroethylsulfonyl)quinazolin-4-amine CAS Name: 6-nitro-N-(phenylmethyl)-7-(2,2,2-trifluoroethylsulfonyl)-4-quinazolinamine IUPAC Name: N-benzyl-6-nitro-7-(2,2,2-trifluoroethylsulfonyl)quinazolin-4-amine Traditional Name: benzyl-[6-nitro-7-(2,2,2-trifluoroethylsulfonyl)quinazolin-4-yl]amine Formula: C17H13F3N4O4S MolecularWeight: 426.36973

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=NC=NC3=CC(=C(C=C32)[N+](=O)[O-])S(=O)(=O)CC(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)CNC2=NC=NC3=CC(=C(C=C32)[N+](=O)[O-])S(=O)(=O)CC(F)(F)F

InChI

InChI=1S/C17H13F3N4O4S/c18-17(19,20)9-29(27,28)15-7-13-12(6-14(15)24(25)26)16(23-10-22-13)21-8-11-4-2-1-3-5-11/h1-7,10H,8-9H2,(H,21,22,23)