6-bromanyl-N-butyl-3-(4-ethylphenyl)-4-oxidanyl-2-oxidanylidene-1H-quinazoline-4-carboxamide

Systemtic Name: 6-bromanyl-N-butyl-3-(4-ethylphenyl)-4-oxidanyl-2-oxidanylidene-1H-quinazoline-4-carboxamide Openeye Name: 6-bromo-N-butyl-3-(4-ethylphenyl)-4-hydroxy-2-oxo-1H-quinazoline-4-carboxamide CAS Name: 6-bromo-N-butyl-3-(4-ethylphenyl)-4-hydroxy-2-oxo-1H-quinazoline-4-carboxamide IUPAC Name: 6-bromo-N-butyl-3-(4-ethylphenyl)-4-hydroxy-2-oxo-1H-quinazoline-4-carboxamide Traditional Name: 6-bromo-N-butyl-3-(4-ethylphenyl)-4-hydroxy-2-keto-1H-quinazoline-4-carboxamide Formula: C21H24BrN3O3 MolecularWeight: 446.33756

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1(C2=C(C=CC(=C2)Br)NC(=O)N1C3=CC=C(C=C3)CC)O

Isomeric SMILES

CCCCNC(=O)C1(C2=C(C=CC(=C2)Br)NC(=O)N1C3=CC=C(C=C3)CC)O

InChI

InChI=1S/C21H24BrN3O3/c1-3-5-12-23-19(26)21(28)17-13-15(22)8-11-18(17)24-20(27)25(21)16-9-6-14(4-2)7-10-16/h6-11,13,28H,3-5,12H2,1-2H3,(H,23,26)(H,24,27)