methyl-[(2S)-1-oxidanylidene-1-(propan-2-ylcarbamoylamino)propan-2-yl]-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]azanium

Systemtic Name: methyl-[(2S)-1-oxidanylidene-1-(propan-2-ylcarbamoylamino)propan-2-yl]-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]azanium Openeye Name: [(1S)-2-(isopropylcarbamoylamino)-1-methyl-2-oxo-ethyl]-methyl-[(4-oxo-1H-quinazolin-2-yl)methyl]ammonium CAS Name: methyl-[(2S)-1-oxo-1-[[oxo-(propan-2-ylamino)methyl]amino]propan-2-yl]-[(4-oxo-1H-quinazolin-2-yl)methyl]ammonium IUPAC Name: methyl-[(2S)-1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl]-[(4-oxo-1H-quinazolin-2-yl)methyl]azanium Traditional Name: [(1S)-2-(isopropylcarbamoylamino)-2-keto-1-methyl-ethyl]-[(4-keto-1H-quinazolin-2-yl)methyl]-methyl-ammonium Formula: C17H24N5O3+ MolecularWeight: 346.40416

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@@H](C(=O)NC(=O)NC(C)C)[NH+](C)CC1=NC(=O)C2=CC=CC=C2N1

InChI

InChI=1S/C17H23N5O3/c1-10(2)18-17(25)21-15(23)11(3)22(4)9-14-19-13-8-6-5-7-12(13)16(24)20-14/h5-8,10-11H,9H2,1-4H3,(H,19,20,24)(H2,18,21,23,25)/p+1/t11-/m0/s1