3-[(4-methoxyphenyl)methyl]-2-[(4-pyrrolidin-1-ylcarbonylphenyl)methylsulfanyl]quinazolin-4-one

Systemtic Name: 3-[(4-methoxyphenyl)methyl]-2-[(4-pyrrolidin-1-ylcarbonylphenyl)methylsulfanyl]quinazolin-4-one Openeye Name: 3-[(4-methoxyphenyl)methyl]-2-[[4-(pyrrolidine-1-carbonyl)phenyl]methylsulfanyl]quinazolin-4-one CAS Name: 3-[(4-methoxyphenyl)methyl]-2-[[4-[oxo(1-pyrrolidinyl)methyl]phenyl]methylthio]-4-quinazolinone IUPAC Name: 3-[(4-methoxyphenyl)methyl]-2-[[4-(pyrrolidine-1-carbonyl)phenyl]methylsulfanyl]quinazolin-4-one Traditional Name: 3-p-anisyl-2-[[4-(pyrrolidine-1-carbonyl)benzyl]thio]quinazolin-4-one Formula: C28H27N3O3S MolecularWeight: 485.59728

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3N=C2SCC4=CC=C(C=C4)C(=O)N5CCCC5

Isomeric SMILES

COC1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3N=C2SCC4=CC=C(C=C4)C(=O)N5CCCC5

InChI

InChI=1S/C28H27N3O3S/c1-34-23-14-10-20(11-15-23)18-31-27(33)24-6-2-3-7-25(24)29-28(31)35-19-21-8-12-22(13-9-21)26(32)30-16-4-5-17-30/h2-3,6-15H,4-5,16-19H2,1H3