3,6-dimethyl-2-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methylsulfanyl]quinazolin-4-one

Systemtic Name: 3,6-dimethyl-2-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methylsulfanyl]quinazolin-4-one Openeye Name: 3,6-dimethyl-2-[(5-pyrrolidin-1-ylsulfonyl-2-furyl)methylsulfanyl]quinazolin-4-one CAS Name: 3,6-dimethyl-2-[[5-(1-pyrrolidinylsulfonyl)-2-furanyl]methylthio]-4-quinazolinone IUPAC Name: 3,6-dimethyl-2-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methylsulfanyl]quinazolin-4-one Traditional Name: 3,6-dimethyl-2-[(5-pyrrolidinosulfonyl-2-furyl)methylthio]quinazolin-4-one Formula: C19H21N3O4S2 MolecularWeight: 419.51774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(N(C2=O)C)SCC3=CC=C(O3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(N(C2=O)C)SCC3=CC=C(O3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C19H21N3O4S2/c1-13-5-7-16-15(11-13)18(23)21(2)19(20-16)27-12-14-6-8-17(26-14)28(24,25)22-9-3-4-10-22/h5-8,11H,3-4,9-10,12H2,1-2H3