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

Systemtic Name: 3-(3-methoxyphenyl)-2-[(4-pyrrolidin-1-ylcarbonylphenyl)methylsulfanyl]quinazolin-4-one Openeye Name: 3-(3-methoxyphenyl)-2-[[4-(pyrrolidine-1-carbonyl)phenyl]methylsulfanyl]quinazolin-4-one CAS Name: 3-(3-methoxyphenyl)-2-[[4-[oxo(1-pyrrolidinyl)methyl]phenyl]methylthio]-4-quinazolinone IUPAC Name: 3-(3-methoxyphenyl)-2-[[4-(pyrrolidine-1-carbonyl)phenyl]methylsulfanyl]quinazolin-4-one Traditional Name: 3-(3-methoxyphenyl)-2-[[4-(pyrrolidine-1-carbonyl)benzyl]thio]quinazolin-4-one Formula: C27H25N3O3S MolecularWeight: 471.5707

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=CC=C(C=C4)C(=O)N5CCCC5

Isomeric SMILES

COC1=CC=CC(=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=CC=C(C=C4)C(=O)N5CCCC5

InChI

InChI=1S/C27H25N3O3S/c1-33-22-8-6-7-21(17-22)30-26(32)23-9-2-3-10-24(23)28-27(30)34-18-19-11-13-20(14-12-19)25(31)29-15-4-5-16-29/h2-3,6-14,17H,4-5,15-16,18H2,1H3