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

Systemtic Name: 3-[[3-(3-methoxypropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[[3-(3-methoxypropyl)-4-oxo-quinazolin-2-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[[[3-(3-methoxypropyl)-4-oxo-2-quinazolinyl]thio]methyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[[3-(3-methoxypropyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[[[4-keto-3-(3-methoxypropyl)quinazolin-2-yl]thio]methyl]-1,2,3-benzotriazin-4-one Formula: C20H19N5O3S MolecularWeight: 409.46156

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=O)C2=CC=CC=C2N=C1SCN3C(=O)C4=CC=CC=C4N=N3

Isomeric SMILES

COCCCN1C(=O)C2=CC=CC=C2N=C1SCN3C(=O)C4=CC=CC=C4N=N3

InChI

InChI=1S/C20H19N5O3S/c1-28-12-6-11-24-18(26)14-7-2-4-9-16(14)21-20(24)29-13-25-19(27)15-8-3-5-10-17(15)22-23-25/h2-5,7-10H,6,11-13H2,1H3