ethyl 2-[4-[2-(3,4-dimethoxyphenyl)ethylamino]quinazolin-2-yl]sulfanylethanoate

Systemtic Name: ethyl 2-[4-[2-(3,4-dimethoxyphenyl)ethylamino]quinazolin-2-yl]sulfanylethanoate Openeye Name: ethyl 2-[4-[2-(3,4-dimethoxyphenyl)ethylamino]quinazolin-2-yl]sulfanylacetate CAS Name: 2-[[4-[2-(3,4-dimethoxyphenyl)ethylamino]-2-quinazolinyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-[2-(3,4-dimethoxyphenyl)ethylamino]quinazolin-2-yl]sulfanylacetate Traditional Name: 2-[[4-(homoveratrylamino)quinazolin-2-yl]thio]acetic acid ethyl ester Formula: C22H25N3O4S MolecularWeight: 427.5166

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC2=CC=CC=C2C(=N1)NCCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCOC(=O)CSC1=NC2=CC=CC=C2C(=N1)NCCC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C22H25N3O4S/c1-4-29-20(26)14-30-22-24-17-8-6-5-7-16(17)21(25-22)23-12-11-15-9-10-18(27-2)19(13-15)28-3/h5-10,13H,4,11-12,14H2,1-3H3,(H,23,24,25)