butyl-[2-[[(1S)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxidanylidene-ethyl]-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]azanium

Systemtic Name: butyl-[2-[[(1S)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxidanylidene-ethyl]-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]azanium Openeye Name: butyl-[2-[[(1S)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxo-ethyl]-[(4-oxo-1H-quinazolin-2-yl)methyl]ammonium CAS Name: butyl-[2-[[(1S)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl]-[(4-oxo-1H-quinazolin-2-yl)methyl]ammonium IUPAC Name: butyl-[2-[[(1S)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl]-[(4-oxo-1H-quinazolin-2-yl)methyl]azanium Traditional Name: butyl-[2-[[(1S)-1-cyano-1-cyclopropyl-ethyl]amino]-2-keto-ethyl]-[(4-keto-1H-quinazolin-2-yl)methyl]ammonium Formula: C21H28N5O2+ MolecularWeight: 382.47932

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](CC1=NC(=O)C2=CC=CC=C2N1)CC(=O)NC(C)(C#N)C3CC3

Isomeric SMILES

CCCC[NH+](CC1=NC(=O)C2=CC=CC=C2N1)CC(=O)N[C@](C)(C#N)C3CC3

InChI

InChI=1S/C21H27N5O2/c1-3-4-11-26(13-19(27)25-21(2,14-22)15-9-10-15)12-18-23-17-8-6-5-7-16(17)20(28)24-18/h5-8,15H,3-4,9-13H2,1-2H3,(H,25,27)(H,23,24,28)/p+1/t21-/m1/s1