3-[[4-oxidanylidene-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one

Systemtic Name: 3-[[4-oxidanylidene-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[[4-oxo-3-(tetrahydrofuran-2-ylmethyl)quinazolin-2-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[[[4-oxo-3-(2-oxolanylmethyl)-2-quinazolinyl]thio]methyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[[4-oxo-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[[[4-keto-3-(tetrahydrofurfuryl)quinazolin-2-yl]thio]methyl]-1,2,3-benzotriazin-4-one Formula: C21H19N5O3S MolecularWeight: 421.47226

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CN2C(=O)C3=CC=CC=C3N=C2SCN4C(=O)C5=CC=CC=C5N=N4

Isomeric SMILES

C1CC(OC1)CN2C(=O)C3=CC=CC=C3N=C2SCN4C(=O)C5=CC=CC=C5N=N4

InChI

InChI=1S/C21H19N5O3S/c27-19-15-7-1-3-9-17(15)22-21(25(19)12-14-6-5-11-29-14)30-13-26-20(28)16-8-2-4-10-18(16)23-24-26/h1-4,7-10,14H,5-6,11-13H2