2-[(3-chlorophenyl)methylsulfanyl]-3-(3,5-dimethylphenyl)-7-pyrrolidin-1-ylcarbonyl-quinazolin-4-one

Systemtic Name: 2-[(3-chlorophenyl)methylsulfanyl]-3-(3,5-dimethylphenyl)-7-pyrrolidin-1-ylcarbonyl-quinazolin-4-one Openeye Name: 2-[(3-chlorophenyl)methylsulfanyl]-3-(3,5-dimethylphenyl)-7-(pyrrolidine-1-carbonyl)quinazolin-4-one CAS Name: 2-[(3-chlorophenyl)methylthio]-3-(3,5-dimethylphenyl)-7-[oxo(1-pyrrolidinyl)methyl]-4-quinazolinone IUPAC Name: 2-[(3-chlorophenyl)methylsulfanyl]-3-(3,5-dimethylphenyl)-7-(pyrrolidine-1-carbonyl)quinazolin-4-one Traditional Name: 2-[(3-chlorobenzyl)thio]-3-(3,5-dimethylphenyl)-7-(pyrrolidine-1-carbonyl)quinazolin-4-one Formula: C28H26ClN3O2S MolecularWeight: 504.04294

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)N4CCCC4)N=C2SCC5=CC(=CC=C5)Cl)C

Isomeric SMILES

CC1=CC(=CC(=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)N4CCCC4)N=C2SCC5=CC(=CC=C5)Cl)C

InChI

InChI=1S/C28H26ClN3O2S/c1-18-12-19(2)14-23(13-18)32-27(34)24-9-8-21(26(33)31-10-3-4-11-31)16-25(24)30-28(32)35-17-20-6-5-7-22(29)15-20/h5-9,12-16H,3-4,10-11,17H2,1-2H3