(4-azanylquinazolin-2-yl)methyl 2-[2-(dimethylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate

Systemtic Name: (4-azanylquinazolin-2-yl)methyl 2-[2-(dimethylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: (4-aminoquinazolin-2-yl)methyl 2-[2-(dimethylamino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-(dimethylamino)-2-oxoethyl]thio]benzoic acid (4-amino-2-quinazolinyl)methyl ester IUPAC Name: (4-aminoquinazolin-2-yl)methyl 2-[2-(dimethylamino)-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-(dimethylamino)-2-keto-ethyl]thio]benzoic acid (4-aminoquinazolin-2-yl)methyl ester Formula: C20H20N4O3S MolecularWeight: 396.4628

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)CSC1=CC=CC=C1C(=O)OCC2=NC3=CC=CC=C3C(=N2)N

Isomeric SMILES

CN(C)C(=O)CSC1=CC=CC=C1C(=O)OCC2=NC3=CC=CC=C3C(=N2)N

InChI

InChI=1S/C20H20N4O3S/c1-24(2)18(25)12-28-16-10-6-4-8-14(16)20(26)27-11-17-22-15-9-5-3-7-13(15)19(21)23-17/h3-10H,11-12H2,1-2H3,(H2,21,22,23)