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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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