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

Systemtic Name: 3-(3-methoxyphenyl)-2-[(2-methylphenyl)methylsulfanyl]-7-pyrrolidin-1-ylcarbonyl-quinazolin-4-one Openeye Name: 3-(3-methoxyphenyl)-2-(o-tolylmethylsulfanyl)-7-(pyrrolidine-1-carbonyl)quinazolin-4-one CAS Name: 3-(3-methoxyphenyl)-2-[(2-methylphenyl)methylthio]-7-[oxo(1-pyrrolidinyl)methyl]-4-quinazolinone IUPAC Name: 3-(3-methoxyphenyl)-2-[(2-methylphenyl)methylsulfanyl]-7-(pyrrolidine-1-carbonyl)quinazolin-4-one Traditional Name: 3-(3-methoxyphenyl)-2-[(2-methylbenzyl)thio]-7-(pyrrolidine-1-carbonyl)quinazolin-4-one Formula: C28H27N3O3S MolecularWeight: 485.59728

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSC2=NC3=C(C=CC(=C3)C(=O)N4CCCC4)C(=O)N2C5=CC(=CC=C5)OC

Isomeric SMILES

CC1=CC=CC=C1CSC2=NC3=C(C=CC(=C3)C(=O)N4CCCC4)C(=O)N2C5=CC(=CC=C5)OC

InChI

InChI=1S/C28H27N3O3S/c1-19-8-3-4-9-21(19)18-35-28-29-25-16-20(26(32)30-14-5-6-15-30)12-13-24(25)27(33)31(28)22-10-7-11-23(17-22)34-2/h3-4,7-13,16-17H,5-6,14-15,18H2,1-2H3