3-(2-methylphenyl)-2-(1,4,5,6-tetrahydropyrimidin-2-ylsulfanylmethyl)quinazolin-4-one hydrobromide

Systemtic Name: 3-(2-methylphenyl)-2-(1,4,5,6-tetrahydropyrimidin-2-ylsulfanylmethyl)quinazolin-4-one hydrobromide Openeye Name: 3-(o-tolyl)-2-(1,4,5,6-tetrahydropyrimidin-2-ylsulfanylmethyl)quinazolin-4-one hydrobromide CAS Name: 3-(2-methylphenyl)-2-[(1,4,5,6-tetrahydropyrimidin-2-ylthio)methyl]-4-quinazolinone hydrobromide IUPAC Name: 3-(2-methylphenyl)-2-(1,4,5,6-tetrahydropyrimidin-2-ylsulfanylmethyl)quinazolin-4-one hydrobromide Traditional Name: 3-(o-tolyl)-2-[(1,4,5,6-tetrahydropyrimidin-2-ylthio)methyl]quinazolin-4-one hydrobromide Formula: C20H21BrN4OS MolecularWeight: 445.37594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=NC3=CC=CC=C3C2=O)CSC4=NCCCN4.Br

Isomeric SMILES

CC1=CC=CC=C1N2C(=NC3=CC=CC=C3C2=O)CSC4=NCCCN4.Br

InChI

InChI=1S/C20H20N4OS.BrH/c1-14-7-2-5-10-17(14)24-18(13-26-20-21-11-6-12-22-20)23-16-9-4-3-8-15(16)19(24)25;/h2-5,7-10H,6,11-13H2,1H3,(H,21,22);1H