3-[3-(4-tert-butyl-2-methyl-phenoxy)-2-oxidanyl-propyl]-6-chloranyl-quinazolin-4-one

Systemtic Name: 3-[3-(4-tert-butyl-2-methyl-phenoxy)-2-oxidanyl-propyl]-6-chloranyl-quinazolin-4-one Openeye Name: 3-[3-(4-tert-butyl-2-methyl-phenoxy)-2-hydroxy-propyl]-6-chloro-quinazolin-4-one CAS Name: 3-[3-(4-tert-butyl-2-methylphenoxy)-2-hydroxypropyl]-6-chloro-4-quinazolinone IUPAC Name: 3-[3-(4-tert-butyl-2-methylphenoxy)-2-hydroxypropyl]-6-chloroquinazolin-4-one Traditional Name: 3-[3-(4-tert-butyl-2-methyl-phenoxy)-2-hydroxy-propyl]-6-chloro-quinazolin-4-one Formula: C22H25ClN2O3 MolecularWeight: 400.8985

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(C)(C)C)OCC(CN2C=NC3=C(C2=O)C=C(C=C3)Cl)O

Isomeric SMILES

CC1=C(C=CC(=C1)C(C)(C)C)OCC(CN2C=NC3=C(C2=O)C=C(C=C3)Cl)O

InChI

InChI=1S/C22H25ClN2O3/c1-14-9-15(22(2,3)4)5-8-20(14)28-12-17(26)11-25-13-24-19-7-6-16(23)10-18(19)21(25)27/h5-10,13,17,26H,11-12H2,1-4H3