N-(2-ethylsulfanylethyl)-6-methyl-quinazoline-2-carboxamide; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: N-(2-ethylsulfanylethyl)-6-methyl-quinazoline-2-carboxamide; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: N-(2-ethylsulfanylethyl)-6-methyl-quinazoline-2-carboxamide; 2,2,2-trifluoroacetic acid CAS Name: N-[2-(ethylthio)ethyl]-6-methyl-2-quinazolinecarboxamide; 2,2,2-trifluoroacetic acid IUPAC Name: N-(2-ethylsulfanylethyl)-6-methylquinazoline-2-carboxamide; 2,2,2-trifluoroacetic acid Traditional Name: N-[2-(ethylthio)ethyl]-6-methyl-quinazoline-2-carboxamide; 2,2,2-trifluoroacetic acid Formula: C18H19F6N3O5S MolecularWeight: 503.415979

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Descriptors Computed from Structure

Canonical SMILES:

CCSCCNC(=O)C1=NC=C2C=C(C=CC2=N1)C.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O

Isomeric SMILES

CCSCCNC(=O)C1=NC=C2C=C(C=CC2=N1)C.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C14H17N3OS.2C2HF3O2/c1-3-19-7-6-15-14(18)13-16-9-11-8-10(2)4-5-12(11)17-13;2*3-2(4,5)1(6)7/h4-5,8-9H,3,6-7H2,1-2H3,(H,15,18);2*(H,6,7)