dimethyl 5-azanyl-3-[[3-(furan-2-ylmethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 5-azanyl-3-[[3-(furan-2-ylmethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-amino-3-[[3-(2-furylmethyl)-4-oxo-quinazolin-2-yl]sulfanylmethyl]thiophene-2,4-dicarboxylate CAS Name: 5-amino-3-[[[3-(2-furanylmethyl)-4-oxo-2-quinazolinyl]thio]methyl]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-amino-3-[[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]thiophene-2,4-dicarboxylate Traditional Name: 5-amino-3-[[[3-(2-furfuryl)-4-keto-quinazolin-2-yl]thio]methyl]thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C22H19N3O6S2 MolecularWeight: 485.53276

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C1CSC2=NC3=CC=CC=C3C(=O)N2CC4=CC=CO4)C(=O)OC)N

Isomeric SMILES

COC(=O)C1=C(SC(=C1CSC2=NC3=CC=CC=C3C(=O)N2CC4=CC=CO4)C(=O)OC)N

InChI

InChI=1S/C22H19N3O6S2/c1-29-20(27)16-14(17(21(28)30-2)33-18(16)23)11-32-22-24-15-8-4-3-7-13(15)19(26)25(22)10-12-6-5-9-31-12/h3-9H,10-11,23H2,1-2H3