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

Systemtic Name: 3-(3-methoxyphenyl)-2-[(3-methylphenyl)methylsulfanyl]-7-pyrrolidin-1-ylcarbonyl-quinazolin-4-one Openeye Name: 3-(3-methoxyphenyl)-2-(m-tolylmethylsulfanyl)-7-(pyrrolidine-1-carbonyl)quinazolin-4-one CAS Name: 3-(3-methoxyphenyl)-2-[(3-methylphenyl)methylthio]-7-[oxo(1-pyrrolidinyl)methyl]-4-quinazolinone IUPAC Name: 3-(3-methoxyphenyl)-2-[(3-methylphenyl)methylsulfanyl]-7-(pyrrolidine-1-carbonyl)quinazolin-4-one Traditional Name: 3-(3-methoxyphenyl)-2-[(3-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=C1)CSC2=NC3=C(C=CC(=C3)C(=O)N4CCCC4)C(=O)N2C5=CC(=CC=C5)OC

Isomeric SMILES

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

InChI

InChI=1S/C28H27N3O3S/c1-19-7-5-8-20(15-19)18-35-28-29-25-16-21(26(32)30-13-3-4-14-30)11-12-24(25)27(33)31(28)22-9-6-10-23(17-22)34-2/h5-12,15-17H,3-4,13-14,18H2,1-2H3