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

Systemtic Name: [(2S)-1-[(4-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl]-methyl-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]azanium Openeye Name: [(1S)-2-(4-cyanoanilino)-1-methyl-2-oxo-ethyl]-methyl-[(4-oxo-1H-quinazolin-2-yl)methyl]ammonium CAS Name: [(2S)-1-(4-cyanoanilino)-1-oxopropan-2-yl]-methyl-[(4-oxo-1H-quinazolin-2-yl)methyl]ammonium IUPAC Name: [(2S)-1-(4-cyanoanilino)-1-oxopropan-2-yl]-methyl-[(4-oxo-1H-quinazolin-2-yl)methyl]azanium Traditional Name: [(1S)-2-(4-cyanoanilino)-2-keto-1-methyl-ethyl]-[(4-keto-1H-quinazolin-2-yl)methyl]-methyl-ammonium Formula: C20H20N5O2+ MolecularWeight: 362.4051

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C#N)[NH+](C)CC2=NC(=O)C3=CC=CC=C3N2

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)C#N)[NH+](C)CC2=NC(=O)C3=CC=CC=C3N2

InChI

InChI=1S/C20H19N5O2/c1-13(19(26)22-15-9-7-14(11-21)8-10-15)25(2)12-18-23-17-6-4-3-5-16(17)20(27)24-18/h3-10,13H,12H2,1-2H3,(H,22,26)(H,23,24,27)/p+1/t13-/m0/s1