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

Systemtic Name: dimethyl 5-azanyl-3-[[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylmethyl]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-amino-3-[[2-(morpholinomethyl)quinazolin-4-yl]sulfanylmethyl]thiophene-2,4-dicarboxylate CAS Name: 5-amino-3-[[[2-(4-morpholinylmethyl)-4-quinazolinyl]thio]methyl]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-amino-3-[[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylmethyl]thiophene-2,4-dicarboxylate Traditional Name: 5-amino-3-[[[2-(morpholinomethyl)quinazolin-4-yl]thio]methyl]thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C22H24N4O5S2 MolecularWeight: 488.57976

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C1CSC2=NC(=NC3=CC=CC=C32)CN4CCOCC4)C(=O)OC)N

Isomeric SMILES

COC(=O)C1=C(SC(=C1CSC2=NC(=NC3=CC=CC=C32)CN4CCOCC4)C(=O)OC)N

InChI

InChI=1S/C22H24N4O5S2/c1-29-21(27)17-14(18(22(28)30-2)33-19(17)23)12-32-20-13-5-3-4-6-15(13)24-16(25-20)11-26-7-9-31-10-8-26/h3-6H,7-12,23H2,1-2H3