3-(2-methylphenyl)-2-[3,3,3-tris(chloranyl)-2-oxidanyl-propyl]quinazolin-4-one hydrochloride

Systemtic Name: 3-(2-methylphenyl)-2-[3,3,3-tris(chloranyl)-2-oxidanyl-propyl]quinazolin-4-one hydrochloride Openeye Name: 3-(o-tolyl)-2-(3,3,3-trichloro-2-hydroxy-propyl)quinazolin-4-one hydrochloride CAS Name: 3-(2-methylphenyl)-2-(3,3,3-trichloro-2-hydroxypropyl)-4-quinazolinone hydrochloride IUPAC Name: 3-(2-methylphenyl)-2-(3,3,3-trichloro-2-hydroxypropyl)quinazolin-4-one hydrochloride Traditional Name: 3-(o-tolyl)-2-(3,3,3-trichloro-2-hydroxy-propyl)quinazolin-4-one hydrochloride Formula: C18H16Cl4N2O2 MolecularWeight: 434.14384

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=NC3=CC=CC=C3C2=O)CC(C(Cl)(Cl)Cl)O.Cl

Isomeric SMILES

CC1=CC=CC=C1N2C(=NC3=CC=CC=C3C2=O)CC(C(Cl)(Cl)Cl)O.Cl

InChI

InChI=1S/C18H15Cl3N2O2.ClH/c1-11-6-2-5-9-14(11)23-16(10-15(24)18(19,20)21)22-13-8-4-3-7-12(13)17(23)25;/h2-9,15,24H,10H2,1H3;1H