3-ethyl-7-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]carbonyl-2-sulfanylidene-quinazolin-4-olate

Systemtic Name: 3-ethyl-7-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]carbonyl-2-sulfanylidene-quinazolin-4-olate Openeye Name: 3-ethyl-7-[4-(2-oxo-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-carbonyl]-2-thioxo-quinazolin-4-olate CAS Name: 3-ethyl-7-[oxo-[4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazin-4-iumyl]methyl]-2-sulfanylidene-4-quinazolinolate IUPAC Name: 3-ethyl-7-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-4-ium-1-carbonyl]-2-sulfanylidenequinazolin-4-olate Traditional Name: 3-ethyl-7-[4-(2-keto-2-pyrrolidino-ethyl)piperazin-4-ium-1-carbonyl]-2-thioxo-quinazolin-4-olate Formula: C21H27N5O3S MolecularWeight: 429.53578

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C2C=CC(=CC2=NC1=S)C(=O)N3CC[NH+](CC3)CC(=O)N4CCCC4)[O-]

Isomeric SMILES

CCN1C(=C2C=CC(=CC2=NC1=S)C(=O)N3CC[NH+](CC3)CC(=O)N4CCCC4)[O-]

InChI

InChI=1S/C21H27N5O3S/c1-2-26-20(29)16-6-5-15(13-17(16)22-21(26)30)19(28)25-11-9-23(10-12-25)14-18(27)24-7-3-4-8-24/h5-6,13,29H,2-4,7-12,14H2,1H3