2-[3,4-bis(azanyl)quinazolin-3-ium-2-yl]sulfanyl-1-phenyl-propan-1-one bromide

Systemtic Name: 2-[3,4-bis(azanyl)quinazolin-3-ium-2-yl]sulfanyl-1-phenyl-propan-1-one bromide Openeye Name: 2-(3,4-diaminoquinazolin-3-ium-2-yl)sulfanyl-1-phenyl-propan-1-one bromide CAS Name: 2-[(3,4-diamino-2-quinazolin-3-iumyl)thio]-1-phenyl-1-propanone bromide IUPAC Name: 2-(3,4-diaminoquinazolin-3-ium-2-yl)sulfanyl-1-phenylpropan-1-one bromide Traditional Name: 2-[(3,4-diaminoquinazolin-3-ium-2-yl)thio]-1-phenyl-propan-1-one bromide Formula: C17H17BrN4OS MolecularWeight: 405.31208

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=CC=C1)SC2=NC3=CC=CC=C3C(=[N+]2N)N.[Br-]

Isomeric SMILES

CC(C(=O)C1=CC=CC=C1)SC2=NC3=CC=CC=C3C(=[N+]2N)N.[Br-]

InChI

InChI=1S/C17H16N4OS.BrH/c1-11(15(22)12-7-3-2-4-8-12)23-17-20-14-10-6-5-9-13(14)16(18)21(17)19;/h2-11,18H,19H2,1H3;1H