2-[2-[[4-(2-methoxyethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-4-oxidanylidene-quinazolin-3-yl]ethanamide

Systemtic Name: 2-[2-[[4-(2-methoxyethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-4-oxidanylidene-quinazolin-3-yl]ethanamide Openeye Name: 2-[2-[[4-(2-methoxyethyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-4-oxo-quinazolin-3-yl]acetamide CAS Name: 2-[2-[[[4-(2-methoxyethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]methyl]-4-oxo-3-quinazolinyl]acetamide IUPAC Name: 2-[2-[[4-(2-methoxyethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-4-oxoquinazolin-3-yl]acetamide Traditional Name: 2-[4-keto-2-[[[4-(2-methoxyethyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]quinazolin-3-yl]acetamide Formula: C21H21N7O3S MolecularWeight: 451.50154

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C(=NN=C1SCC2=NC3=CC=CC=C3C(=O)N2CC(=O)N)C4=CC=NC=C4

Isomeric SMILES

COCCN1C(=NN=C1SCC2=NC3=CC=CC=C3C(=O)N2CC(=O)N)C4=CC=NC=C4

InChI

InChI=1S/C21H21N7O3S/c1-31-11-10-27-19(14-6-8-23-9-7-14)25-26-21(27)32-13-18-24-16-5-3-2-4-15(16)20(30)28(18)12-17(22)29/h2-9H,10-13H2,1H3,(H2,22,29)