methyl 5-[[2-oxidanylidene-1-(pyridin-2-ylmethyl)-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanylmethyl]furan-2-carboxylate

Systemtic Name: methyl 5-[[2-oxidanylidene-1-(pyridin-2-ylmethyl)-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanylmethyl]furan-2-carboxylate Openeye Name: methyl 5-[[2-oxo-1-(2-pyridylmethyl)-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanylmethyl]furan-2-carboxylate CAS Name: 5-[[[2-oxo-1-(2-pyridinylmethyl)-5,6,7,8-tetrahydroquinazolin-4-yl]thio]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[2-oxo-1-(pyridin-2-ylmethyl)-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanylmethyl]furan-2-carboxylate Traditional Name: 5-[[[2-keto-1-(2-pyridylmethyl)-5,6,7,8-tetrahydroquinazolin-4-yl]thio]methyl]furan-2-carboxylic acid methyl ester Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(O1)CSC2=NC(=O)N(C3=C2CCCC3)CC4=CC=CC=N4

Isomeric SMILES

COC(=O)C1=CC=C(O1)CSC2=NC(=O)N(C3=C2CCCC3)CC4=CC=CC=N4

InChI

InChI=1S/C21H21N3O4S/c1-27-20(25)18-10-9-15(28-18)13-29-19-16-7-2-3-8-17(16)24(21(26)23-19)12-14-6-4-5-11-22-14/h4-6,9-11H,2-3,7-8,12-13H2,1H3