3-(3,4-dimethylphenyl)-2-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methylsulfanyl]quinazolin-4-one

Systemtic Name: 3-(3,4-dimethylphenyl)-2-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methylsulfanyl]quinazolin-4-one Openeye Name: 3-(3,4-dimethylphenyl)-2-[(5-pyrrolidin-1-ylsulfonyl-2-furyl)methylsulfanyl]quinazolin-4-one CAS Name: 3-(3,4-dimethylphenyl)-2-[[5-(1-pyrrolidinylsulfonyl)-2-furanyl]methylthio]-4-quinazolinone IUPAC Name: 3-(3,4-dimethylphenyl)-2-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methylsulfanyl]quinazolin-4-one Traditional Name: 3-(3,4-dimethylphenyl)-2-[(5-pyrrolidinosulfonyl-2-furyl)methylthio]quinazolin-4-one Formula: C25H25N3O4S2 MolecularWeight: 495.6137

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=CC=C(O4)S(=O)(=O)N5CCCC5)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=CC=C(O4)S(=O)(=O)N5CCCC5)C

InChI

InChI=1S/C25H25N3O4S2/c1-17-9-10-19(15-18(17)2)28-24(29)21-7-3-4-8-22(21)26-25(28)33-16-20-11-12-23(32-20)34(30,31)27-13-5-6-14-27/h3-4,7-12,15H,5-6,13-14,16H2,1-2H3