6,7-dimethoxy-2-(5H-[1,2,4]triazino[6,5-b][1,4]benzothiazin-3-ylsulfanylmethyl)-1H-quinazolin-4-one

Systemtic Name: 6,7-dimethoxy-2-(5H-[1,2,4]triazino[6,5-b][1,4]benzothiazin-3-ylsulfanylmethyl)-1H-quinazolin-4-one Openeye Name: 6,7-dimethoxy-2-(5H-[1,2,4]triazino[6,5-b][1,4]benzothiazin-3-ylsulfanylmethyl)-1H-quinazolin-4-one CAS Name: 6,7-dimethoxy-2-[(5H-[1,2,4]triazino[6,5-b][1,4]benzothiazin-3-ylthio)methyl]-1H-quinazolin-4-one IUPAC Name: 6,7-dimethoxy-2-(5H-[1,2,4]triazino[6,5-b][1,4]benzothiazin-3-ylsulfanylmethyl)-1H-quinazolin-4-one Traditional Name: 6,7-dimethoxy-2-[(5H-[1,2,4]triazino[6,5-b][1,4]benzothiazin-3-ylthio)methyl]-1H-quinazolin-4-one Formula: C20H16N6O3S2 MolecularWeight: 452.50944

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=O)N=C(N2)CSC3=NC4=C(N=N3)SC5=CC=CC=C5N4)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=O)N=C(N2)CSC3=NC4=C(N=N3)SC5=CC=CC=C5N4)OC

InChI

InChI=1S/C20H16N6O3S2/c1-28-13-7-10-12(8-14(13)29-2)21-16(23-18(10)27)9-30-20-24-17-19(25-26-20)31-15-6-4-3-5-11(15)22-17/h3-8H,9H2,1-2H3,(H,21,23,27)(H,22,24,26)