3-[[7-chloranyl-4-oxidanylidene-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one

Systemtic Name: 3-[[7-chloranyl-4-oxidanylidene-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[[7-chloro-4-oxo-3-(tetrahydrofuran-2-ylmethyl)quinazolin-2-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[[[7-chloro-4-oxo-3-(2-oxolanylmethyl)-2-quinazolinyl]thio]methyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[[7-chloro-4-oxo-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[[[7-chloro-4-keto-3-(tetrahydrofurfuryl)quinazolin-2-yl]thio]methyl]-1,2,3-benzotriazin-4-one Formula: C21H18ClN5O3S MolecularWeight: 455.91732

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CN2C(=O)C3=C(C=C(C=C3)Cl)N=C2SCN4C(=O)C5=CC=CC=C5N=N4

Isomeric SMILES

C1CC(OC1)CN2C(=O)C3=C(C=C(C=C3)Cl)N=C2SCN4C(=O)C5=CC=CC=C5N=N4

InChI

InChI=1S/C21H18ClN5O3S/c22-13-7-8-16-18(10-13)23-21(26(19(16)28)11-14-4-3-9-30-14)31-12-27-20(29)15-5-1-2-6-17(15)24-25-27/h1-2,5-8,10,14H,3-4,9,11-12H2