2-[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-6,7-dimethoxy-1H-quinazolin-4-one

Systemtic Name: 2-[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-6,7-dimethoxy-1H-quinazolin-4-one Openeye Name: 2-[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-6,7-dimethoxy-1H-quinazolin-4-one CAS Name: 2-[[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]thio]methyl]-6,7-dimethoxy-1H-quinazolin-4-one IUPAC Name: 2-[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-6,7-dimethoxy-1H-quinazolin-4-one Traditional Name: 2-[[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]thio]methyl]-6,7-dimethoxy-1H-quinazolin-4-one Formula: C20H16N4O6S MolecularWeight: 440.42924

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=O)N=C(N2)CSC3=NN=C(O3)C4=CC5=C(C=C4)OCO5)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=O)N=C(N2)CSC3=NN=C(O3)C4=CC5=C(C=C4)OCO5)OC

InChI

InChI=1S/C20H16N4O6S/c1-26-14-6-11-12(7-15(14)27-2)21-17(22-18(11)25)8-31-20-24-23-19(30-20)10-3-4-13-16(5-10)29-9-28-13/h3-7H,8-9H2,1-2H3,(H,21,22,25)