3-[2-[(5-azanyl-4-cyano-2-ethoxycarbonyl-thiophen-3-yl)methylsulfanyl]-4-oxidanylidene-quinazolin-3-yl]propyl-diethyl-azanium

Systemtic Name: 3-[2-[(5-azanyl-4-cyano-2-ethoxycarbonyl-thiophen-3-yl)methylsulfanyl]-4-oxidanylidene-quinazolin-3-yl]propyl-diethyl-azanium Openeye Name: 3-[2-[(5-amino-4-cyano-2-ethoxycarbonyl-3-thienyl)methylsulfanyl]-4-oxo-quinazolin-3-yl]propyl-diethyl-ammonium CAS Name: 3-[2-[(5-amino-4-cyano-2-ethoxycarbonyl-3-thiophenyl)methylthio]-4-oxo-3-quinazolinyl]propyl-diethylammonium IUPAC Name: 3-[2-[(5-amino-4-cyano-2-ethoxycarbonylthiophen-3-yl)methylsulfanyl]-4-oxoquinazolin-3-yl]propyl-diethylazanium Traditional Name: 3-[2-[(5-amino-2-carbethoxy-4-cyano-3-thienyl)methylthio]-4-keto-quinazolin-3-yl]propyl-diethyl-ammonium Formula: C24H30N5O3S2+ MolecularWeight: 500.6567

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCN1C(=O)C2=CC=CC=C2N=C1SCC3=C(SC(=C3C#N)N)C(=O)OCC

Isomeric SMILES

CC[NH+](CC)CCCN1C(=O)C2=CC=CC=C2N=C1SCC3=C(SC(=C3C#N)N)C(=O)OCC

InChI

InChI=1S/C24H29N5O3S2/c1-4-28(5-2)12-9-13-29-22(30)16-10-7-8-11-19(16)27-24(29)33-15-18-17(14-25)21(26)34-20(18)23(31)32-6-3/h7-8,10-11H,4-6,9,12-13,15,26H2,1-3H3/p+1