3-[2-[2-[[4-(cyanomethyl)phenyl]amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]propyl-diethyl-azanium

Systemtic Name: 3-[2-[2-[[4-(cyanomethyl)phenyl]amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]propyl-diethyl-azanium Openeye Name: 3-[2-[2-[4-(cyanomethyl)anilino]-2-oxo-ethyl]sulfanyl-4-oxo-quinazolin-3-yl]propyl-diethyl-ammonium CAS Name: 3-[2-[[2-[4-(cyanomethyl)anilino]-2-oxoethyl]thio]-4-oxo-3-quinazolinyl]propyl-diethylammonium IUPAC Name: 3-[2-[2-[4-(cyanomethyl)anilino]-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]propyl-diethylazanium Traditional Name: 3-[2-[[2-[4-(cyanomethyl)anilino]-2-keto-ethyl]thio]-4-keto-quinazolin-3-yl]propyl-diethyl-ammonium Formula: C25H30N5O2S+ MolecularWeight: 464.603

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC=C(C=C3)CC#N

Isomeric SMILES

CC[NH+](CC)CCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC=C(C=C3)CC#N

InChI

InChI=1S/C25H29N5O2S/c1-3-29(4-2)16-7-17-30-24(32)21-8-5-6-9-22(21)28-25(30)33-18-23(31)27-20-12-10-19(11-13-20)14-15-26/h5-6,8-13H,3-4,7,14,16-18H2,1-2H3,(H,27,31)/p+1