3-methyl-4-oxidanylidene-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: 3-methyl-4-oxidanylidene-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-methyl-4-oxo-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 3-methyl-4-oxo-N-[[2-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 3-methyl-4-oxo-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 4-keto-3-methyl-N-[2-(pyrrolidin-1-ium-1-ylmethyl)benzyl]-2-thioxo-1H-quinazoline-7-carboxamide Formula: C22H25N4O2S+ MolecularWeight: 409.5245

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(C=C(C=C2)C(=O)NCC3=CC=CC=C3C[NH+]4CCCC4)NC1=S

Isomeric SMILES

CN1C(=O)C2=C(C=C(C=C2)C(=O)NCC3=CC=CC=C3C[NH+]4CCCC4)NC1=S

InChI

InChI=1S/C22H24N4O2S/c1-25-21(28)18-9-8-15(12-19(18)24-22(25)29)20(27)23-13-16-6-2-3-7-17(16)14-26-10-4-5-11-26/h2-3,6-9,12H,4-5,10-11,13-14H2,1H3,(H,23,27)(H,24,29)/p+1