ethyl-[2-oxidanylidene-2-[(phenylmethyl)carbamoylamino]ethyl]-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]azanium

Systemtic Name: ethyl-[2-oxidanylidene-2-[(phenylmethyl)carbamoylamino]ethyl]-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]azanium Openeye Name: [2-(benzylcarbamoylamino)-2-oxo-ethyl]-ethyl-[(4-oxo-1H-quinazolin-2-yl)methyl]ammonium CAS Name: ethyl-[2-oxo-2-[[oxo-[(phenylmethyl)amino]methyl]amino]ethyl]-[(4-oxo-1H-quinazolin-2-yl)methyl]ammonium IUPAC Name: [2-(benzylcarbamoylamino)-2-oxoethyl]-ethyl-[(4-oxo-1H-quinazolin-2-yl)methyl]azanium Traditional Name: [2-(benzylcarbamoylamino)-2-keto-ethyl]-ethyl-[(4-keto-1H-quinazolin-2-yl)methyl]ammonium Formula: C21H24N5O3+ MolecularWeight: 394.44696

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=NC(=O)C2=CC=CC=C2N1)CC(=O)NC(=O)NCC3=CC=CC=C3

Isomeric SMILES

CC[NH+](CC1=NC(=O)C2=CC=CC=C2N1)CC(=O)NC(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C21H23N5O3/c1-2-26(13-18-23-17-11-7-6-10-16(17)20(28)24-18)14-19(27)25-21(29)22-12-15-8-4-3-5-9-15/h3-11H,2,12-14H2,1H3,(H,23,24,28)(H2,22,25,27,29)/p+1