2-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxidanylidene-ethyl]sulfanylquinazolin-4-olate

Systemtic Name: 2-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxidanylidene-ethyl]sulfanylquinazolin-4-olate Openeye Name: 2-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxo-ethyl]sulfanylquinazolin-4-olate CAS Name: 2-[[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]thio]-4-quinazolinolate IUPAC Name: 2-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]sulfanylquinazolin-4-olate Traditional Name: 2-[[2-(homoveratrylamino)-2-keto-ethyl]thio]quinazolin-4-olate Formula: C20H20N3O4S- MolecularWeight: 398.4555

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)CSC2=NC3=CC=CC=C3C(=N2)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)CSC2=NC3=CC=CC=C3C(=N2)[O-])OC

InChI

InChI=1S/C20H21N3O4S/c1-26-16-8-7-13(11-17(16)27-2)9-10-21-18(24)12-28-20-22-15-6-4-3-5-14(15)19(25)23-20/h3-8,11H,9-10,12H2,1-2H3,(H,21,24)(H,22,23,25)/p-1