3-(3,5-dimethylphenyl)-2-(phenylmethylsulfanyl)-7-pyrrolidin-1-ylcarbonyl-quinazolin-4-one

Systemtic Name: 3-(3,5-dimethylphenyl)-2-(phenylmethylsulfanyl)-7-pyrrolidin-1-ylcarbonyl-quinazolin-4-one Openeye Name: 2-benzylsulfanyl-3-(3,5-dimethylphenyl)-7-(pyrrolidine-1-carbonyl)quinazolin-4-one CAS Name: 3-(3,5-dimethylphenyl)-7-[oxo(1-pyrrolidinyl)methyl]-2-(phenylmethylthio)-4-quinazolinone IUPAC Name: 2-benzylsulfanyl-3-(3,5-dimethylphenyl)-7-(pyrrolidine-1-carbonyl)quinazolin-4-one Traditional Name: 2-(benzylthio)-3-(3,5-dimethylphenyl)-7-(pyrrolidine-1-carbonyl)quinazolin-4-one Formula: C28H27N3O2S MolecularWeight: 469.59788

Click to see the large picture

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)C

Isomeric SMILES

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

InChI

InChI=1S/C28H27N3O2S/c1-19-14-20(2)16-23(15-19)31-27(33)24-11-10-22(26(32)30-12-6-7-13-30)17-25(24)29-28(31)34-18-21-8-4-3-5-9-21/h3-5,8-11,14-17H,6-7,12-13,18H2,1-2H3