2-[(2-tert-butylquinazolin-4-yl)sulfanylmethyl]-3-(3,4-dichlorophenyl)quinazolin-4-one

Systemtic Name: 2-[(2-tert-butylquinazolin-4-yl)sulfanylmethyl]-3-(3,4-dichlorophenyl)quinazolin-4-one Openeye Name: 2-[(2-tert-butylquinazolin-4-yl)sulfanylmethyl]-3-(3,4-dichlorophenyl)quinazolin-4-one CAS Name: 2-[[(2-tert-butyl-4-quinazolinyl)thio]methyl]-3-(3,4-dichlorophenyl)-4-quinazolinone IUPAC Name: 2-[(2-tert-butylquinazolin-4-yl)sulfanylmethyl]-3-(3,4-dichlorophenyl)quinazolin-4-one Traditional Name: 2-[[(2-tert-butylquinazolin-4-yl)thio]methyl]-3-(3,4-dichlorophenyl)quinazolin-4-one Formula: C27H22Cl2N4OS MolecularWeight: 521.46078

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC2=CC=CC=C2C(=N1)SCC3=NC4=CC=CC=C4C(=O)N3C5=CC(=C(C=C5)Cl)Cl

Isomeric SMILES

CC(C)(C)C1=NC2=CC=CC=C2C(=N1)SCC3=NC4=CC=CC=C4C(=O)N3C5=CC(=C(C=C5)Cl)Cl

InChI

InChI=1S/C27H22Cl2N4OS/c1-27(2,3)26-31-21-10-6-4-8-17(21)24(32-26)35-15-23-30-22-11-7-5-9-18(22)25(34)33(23)16-12-13-19(28)20(29)14-16/h4-14H,15H2,1-3H3