butyl-[2-(furan-2-ylmethylcarbamoylamino)-2-oxidanylidene-ethyl]-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]azanium

Systemtic Name: butyl-[2-(furan-2-ylmethylcarbamoylamino)-2-oxidanylidene-ethyl]-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]azanium Openeye Name: butyl-[2-(2-furylmethylcarbamoylamino)-2-oxo-ethyl]-[(4-oxo-1H-quinazolin-2-yl)methyl]ammonium CAS Name: butyl-[2-[[(2-furanylmethylamino)-oxomethyl]amino]-2-oxoethyl]-[(4-oxo-1H-quinazolin-2-yl)methyl]ammonium IUPAC Name: butyl-[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl]-[(4-oxo-1H-quinazolin-2-yl)methyl]azanium Traditional Name: butyl-[2-(2-furfurylcarbamoylamino)-2-keto-ethyl]-[(4-keto-1H-quinazolin-2-yl)methyl]ammonium Formula: C21H26N5O4+ MolecularWeight: 412.46224

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](CC1=NC(=O)C2=CC=CC=C2N1)CC(=O)NC(=O)NCC3=CC=CO3

Isomeric SMILES

CCCC[NH+](CC1=NC(=O)C2=CC=CC=C2N1)CC(=O)NC(=O)NCC3=CC=CO3

InChI

InChI=1S/C21H25N5O4/c1-2-3-10-26(13-18-23-17-9-5-4-8-16(17)20(28)24-18)14-19(27)25-21(29)22-12-15-7-6-11-30-15/h4-9,11H,2-3,10,12-14H2,1H3,(H,23,24,28)(H2,22,25,27,29)/p+1