6-[[1,1-bis(oxidanylidene)thiolan-2-yl]-oxidanyl-methyl]-2-butyl-1H-quinazolin-4-one

Systemtic Name: 6-[[1,1-bis(oxidanylidene)thiolan-2-yl]-oxidanyl-methyl]-2-butyl-1H-quinazolin-4-one Openeye Name: 2-butyl-6-[(1,1-dioxothiolan-2-yl)-hydroxy-methyl]-1H-quinazolin-4-one CAS Name: 2-butyl-6-[(1,1-dioxo-2-thiolanyl)-hydroxymethyl]-1H-quinazolin-4-one IUPAC Name: 2-butyl-6-[(1,1-dioxothiolan-2-yl)-hydroxymethyl]-1H-quinazolin-4-one Traditional Name: 2-butyl-6-[(1,1-diketothiolan-2-yl)-hydroxy-methyl]-1H-quinazolin-4-one Formula: C17H22N2O4S MolecularWeight: 350.43258

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=O)C2=C(N1)C=CC(=C2)C(C3CCCS3(=O)=O)O

Isomeric SMILES

CCCCC1=NC(=O)C2=C(N1)C=CC(=C2)C(C3CCCS3(=O)=O)O

InChI

InChI=1S/C17H22N2O4S/c1-2-3-6-15-18-13-8-7-11(10-12(13)17(21)19-15)16(20)14-5-4-9-24(14,22)23/h7-8,10,14,16,20H,2-6,9H2,1H3,(H,18,19,21)