2-[5-azanyl-1-[1,1-bis(oxidanylidene)thiolan-3-yl]-3-oxidanylidene-2H-pyrrol-4-yl]-1H-quinazolin-4-one

Systemtic Name: 2-[5-azanyl-1-[1,1-bis(oxidanylidene)thiolan-3-yl]-3-oxidanylidene-2H-pyrrol-4-yl]-1H-quinazolin-4-one Openeye Name: 2-[5-amino-1-(1,1-dioxothiolan-3-yl)-3-oxo-2H-pyrrol-4-yl]-1H-quinazolin-4-one CAS Name: 2-[5-amino-1-(1,1-dioxo-3-thiolanyl)-3-oxo-2H-pyrrol-4-yl]-1H-quinazolin-4-one IUPAC Name: 2-[5-amino-1-(1,1-dioxothiolan-3-yl)-3-oxo-2H-pyrrol-4-yl]-1H-quinazolin-4-one Traditional Name: 2-[2-amino-1-(1,1-diketothiolan-3-yl)-4-keto-2-pyrrolin-3-yl]-1H-quinazolin-4-one Formula: C16H16N4O4S MolecularWeight: 360.38764

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CC1N2CC(=O)C(=C2N)C3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

C1CS(=O)(=O)CC1N2CC(=O)C(=C2N)C3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C16H16N4O4S/c17-14-13(12(21)7-20(14)9-5-6-25(23,24)8-9)15-18-11-4-2-1-3-10(11)16(22)19-15/h1-4,9H,5-8,17H2,(H,18,19,22)