2-[2-[2-(cyclopropylcarbamoylamino)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]ethyl-diethyl-azanium

Systemtic Name: 2-[2-[2-(cyclopropylcarbamoylamino)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]ethyl-diethyl-azanium Openeye Name: 2-[2-[2-(cyclopropylcarbamoylamino)-2-oxo-ethyl]sulfanyl-4-oxo-quinazolin-3-yl]ethyl-diethyl-ammonium CAS Name: 2-[2-[[2-[[(cyclopropylamino)-oxomethyl]amino]-2-oxoethyl]thio]-4-oxo-3-quinazolinyl]ethyl-diethylammonium IUPAC Name: 2-[2-[2-(cyclopropylcarbamoylamino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]ethyl-diethylazanium Traditional Name: 2-[2-[[2-(cyclopropylcarbamoylamino)-2-keto-ethyl]thio]-4-keto-quinazolin-3-yl]ethyl-diethyl-ammonium Formula: C20H28N5O3S+ MolecularWeight: 418.53302

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC(=O)NC3CC3

Isomeric SMILES

CC[NH+](CC)CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC(=O)NC3CC3

InChI

InChI=1S/C20H27N5O3S/c1-3-24(4-2)11-12-25-18(27)15-7-5-6-8-16(15)22-20(25)29-13-17(26)23-19(28)21-14-9-10-14/h5-8,14H,3-4,9-13H2,1-2H3,(H2,21,23,26,28)/p+1