ethyl 4-[2-[4-oxidanylidene-3-(pyridin-3-ylmethyl)quinazolin-2-yl]sulfanylethanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-[4-oxidanylidene-3-(pyridin-3-ylmethyl)quinazolin-2-yl]sulfanylethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[4-oxo-3-(3-pyridylmethyl)quinazolin-2-yl]sulfanylacetyl]piperazine-1-carboxylate CAS Name: 4-[1-oxo-2-[[4-oxo-3-(3-pyridinylmethyl)-2-quinazolinyl]thio]ethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[4-oxo-3-(pyridin-3-ylmethyl)quinazolin-2-yl]sulfanylacetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[[4-keto-3-(3-pyridylmethyl)quinazolin-2-yl]thio]acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C23H25N5O4S MolecularWeight: 467.5407

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC4=CN=CC=C4

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC4=CN=CC=C4

InChI

InChI=1S/C23H25N5O4S/c1-2-32-23(31)27-12-10-26(11-13-27)20(29)16-33-22-25-19-8-4-3-7-18(19)21(30)28(22)15-17-6-5-9-24-14-17/h3-9,14H,2,10-13,15-16H2,1H3