methyl 4-[[3-(2-diethylaminoethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]benzoate

Systemtic Name: methyl 4-[[3-(2-diethylaminoethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]benzoate Openeye Name: methyl 4-[[3-(2-diethylaminoethyl)-4-oxo-quinazolin-2-yl]sulfanylmethyl]benzoate CAS Name: 4-[[[3-(2-diethylaminoethyl)-4-oxo-2-quinazolinyl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[3-(2-diethylaminoethyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[[3-(2-diethylaminoethyl)-4-keto-quinazolin-2-yl]thio]methyl]benzoic acid methyl ester Formula: C23H27N3O3S MolecularWeight: 425.54378

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN1C(=O)C2=CC=CC=C2N=C1SCC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CCN(CC)CCN1C(=O)C2=CC=CC=C2N=C1SCC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C23H27N3O3S/c1-4-25(5-2)14-15-26-21(27)19-8-6-7-9-20(19)24-23(26)30-16-17-10-12-18(13-11-17)22(28)29-3/h6-13H,4-5,14-16H2,1-3H3