N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-methyl-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-methyl-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-methyl-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-[(2-fluorophenyl)-(1-methyl-2-imidazolyl)methyl]-3-methyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-methyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-keto-3-methyl-2-thioxo-1H-quinazoline-7-carboxamide Formula: C21H18FN5O2S MolecularWeight: 423.463323

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1C(C2=CC=CC=C2F)NC(=O)C3=CC4=C(C=C3)C(=O)N(C(=S)N4)C

Isomeric SMILES

CN1C=CN=C1C(C2=CC=CC=C2F)NC(=O)C3=CC4=C(C=C3)C(=O)N(C(=S)N4)C

InChI

InChI=1S/C21H18FN5O2S/c1-26-10-9-23-18(26)17(13-5-3-4-6-15(13)22)25-19(28)12-7-8-14-16(11-12)24-21(30)27(2)20(14)29/h3-11,17H,1-2H3,(H,24,30)(H,25,28)