ethyl 6-[[4-(ethylamino)quinazolin-2-yl]sulfanylmethyl]-4-(furan-2-yl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 6-[[4-(ethylamino)quinazolin-2-yl]sulfanylmethyl]-4-(furan-2-yl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-[[4-(ethylamino)quinazolin-2-yl]sulfanylmethyl]-4-(2-furyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-[[[4-(ethylamino)-2-quinazolinyl]thio]methyl]-4-(2-furanyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[[4-(ethylamino)quinazolin-2-yl]sulfanylmethyl]-4-(furan-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-[[[4-(ethylamino)quinazolin-2-yl]thio]methyl]-4-(2-furyl)-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C22H23N5O4S MolecularWeight: 453.51412

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NC(=NC2=CC=CC=C21)SCC3=C(C(NC(=O)N3)C4=CC=CO4)C(=O)OCC

Isomeric SMILES

CCNC1=NC(=NC2=CC=CC=C21)SCC3=C(C(NC(=O)N3)C4=CC=CO4)C(=O)OCC

InChI

InChI=1S/C22H23N5O4S/c1-3-23-19-13-8-5-6-9-14(13)25-22(27-19)32-12-15-17(20(28)30-4-2)18(26-21(29)24-15)16-10-7-11-31-16/h5-11,18H,3-4,12H2,1-2H3,(H,23,25,27)(H2,24,26,29)