butyl-[2-(3-methylbutylcarbamoylamino)-2-oxidanylidene-ethyl]-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]azanium

Systemtic Name: butyl-[2-(3-methylbutylcarbamoylamino)-2-oxidanylidene-ethyl]-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]azanium Openeye Name: butyl-[2-(isopentylcarbamoylamino)-2-oxo-ethyl]-[(4-oxo-1H-quinazolin-2-yl)methyl]ammonium CAS Name: butyl-[2-[[(3-methylbutylamino)-oxomethyl]amino]-2-oxoethyl]-[(4-oxo-1H-quinazolin-2-yl)methyl]ammonium IUPAC Name: butyl-[2-(3-methylbutylcarbamoylamino)-2-oxoethyl]-[(4-oxo-1H-quinazolin-2-yl)methyl]azanium Traditional Name: butyl-[2-(isoamylcarbamoylamino)-2-keto-ethyl]-[(4-keto-1H-quinazolin-2-yl)methyl]ammonium Formula: C21H32N5O3+ MolecularWeight: 402.51048

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](CC1=NC(=O)C2=CC=CC=C2N1)CC(=O)NC(=O)NCCC(C)C

Isomeric SMILES

CCCC[NH+](CC1=NC(=O)C2=CC=CC=C2N1)CC(=O)NC(=O)NCCC(C)C

InChI

InChI=1S/C21H31N5O3/c1-4-5-12-26(14-19(27)25-21(29)22-11-10-15(2)3)13-18-23-17-9-7-6-8-16(17)20(28)24-18/h6-9,15H,4-5,10-14H2,1-3H3,(H,23,24,28)(H2,22,25,27,29)/p+1