ethyl 5-azanyl-4-cyano-3-[[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanylmethyl]thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanylmethyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanylmethyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[[2-(4-morpholin-4-iumylmethyl)-4-quinazolinyl]thio]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanylmethyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[[[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]thio]methyl]thiophene-2-carboxylic acid ethyl ester Formula: C22H24N5O3S2+ MolecularWeight: 470.58766

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)CSC2=NC(=NC3=CC=CC=C32)C[NH+]4CCOCC4

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)CSC2=NC(=NC3=CC=CC=C32)C[NH+]4CCOCC4

InChI

InChI=1S/C22H23N5O3S2/c1-2-30-22(28)19-16(15(11-23)20(24)32-19)13-31-21-14-5-3-4-6-17(14)25-18(26-21)12-27-7-9-29-10-8-27/h3-6H,2,7-10,12-13,24H2,1H3/p+1