2-[(6-chloranyl-2-propan-2-yl-quinazolin-4-yl)sulfanylmethyl]-3-phenyl-quinazolin-4-one

Systemtic Name: 2-[(6-chloranyl-2-propan-2-yl-quinazolin-4-yl)sulfanylmethyl]-3-phenyl-quinazolin-4-one Openeye Name: 2-[(6-chloro-2-isopropyl-quinazolin-4-yl)sulfanylmethyl]-3-phenyl-quinazolin-4-one CAS Name: 2-[[(6-chloro-2-propan-2-yl-4-quinazolinyl)thio]methyl]-3-phenyl-4-quinazolinone IUPAC Name: 2-[(6-chloro-2-propan-2-ylquinazolin-4-yl)sulfanylmethyl]-3-phenylquinazolin-4-one Traditional Name: 2-[[(6-chloro-2-isopropyl-quinazolin-4-yl)thio]methyl]-3-phenyl-quinazolin-4-one Formula: C26H21ClN4OS MolecularWeight: 472.98914

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC2=C(C=C(C=C2)Cl)C(=N1)SCC3=NC4=CC=CC=C4C(=O)N3C5=CC=CC=C5

Isomeric SMILES

CC(C)C1=NC2=C(C=C(C=C2)Cl)C(=N1)SCC3=NC4=CC=CC=C4C(=O)N3C5=CC=CC=C5

InChI

InChI=1S/C26H21ClN4OS/c1-16(2)24-29-22-13-12-17(27)14-20(22)25(30-24)33-15-23-28-21-11-7-6-10-19(21)26(32)31(23)18-8-4-3-5-9-18/h3-14,16H,15H2,1-2H3