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

Systemtic Name: 3-(3,5-dimethylphenyl)-2-[(4-methylphenyl)methylsulfanyl]-7-pyrrolidin-1-ylcarbonyl-quinazolin-4-one Openeye Name: 3-(3,5-dimethylphenyl)-2-(p-tolylmethylsulfanyl)-7-(pyrrolidine-1-carbonyl)quinazolin-4-one CAS Name: 3-(3,5-dimethylphenyl)-2-[(4-methylphenyl)methylthio]-7-[oxo(1-pyrrolidinyl)methyl]-4-quinazolinone IUPAC Name: 3-(3,5-dimethylphenyl)-2-[(4-methylphenyl)methylsulfanyl]-7-(pyrrolidine-1-carbonyl)quinazolin-4-one Traditional Name: 3-(3,5-dimethylphenyl)-2-[(4-methylbenzyl)thio]-7-(pyrrolidine-1-carbonyl)quinazolin-4-one Formula: C29H29N3O2S MolecularWeight: 483.62446

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=NC3=C(C=CC(=C3)C(=O)N4CCCC4)C(=O)N2C5=CC(=CC(=C5)C)C

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=NC3=C(C=CC(=C3)C(=O)N4CCCC4)C(=O)N2C5=CC(=CC(=C5)C)C

InChI

InChI=1S/C29H29N3O2S/c1-19-6-8-22(9-7-19)18-35-29-30-26-17-23(27(33)31-12-4-5-13-31)10-11-25(26)28(34)32(29)24-15-20(2)14-21(3)16-24/h6-11,14-17H,4-5,12-13,18H2,1-3H3