(E)-[[(4,6-dimethylpyrimidin-2-yl)amino]-phenylazanyl-methylidene]-propanoyl-azanium

Systemtic Name: (E)-[[(4,6-dimethylpyrimidin-2-yl)amino]-phenylazanyl-methylidene]-propanoyl-azanium Openeye Name: (E)-[anilino-[(4,6-dimethylpyrimidin-2-yl)amino]methylene]-propanoyl-ammonium CAS Name: (E)-[anilino-[(4,6-dimethyl-2-pyrimidinyl)amino]methylidene]-(1-oxopropyl)ammonium IUPAC Name: (E)-[anilino-[(4,6-dimethylpyrimidin-2-yl)amino]methylidene]-propanoylazanium Traditional Name: (E)-[anilino-[(4,6-dimethylpyrimidin-2-yl)amino]methylene]-propionyl-ammonium Formula: C16H20N5O+ MolecularWeight: 298.3629

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)[NH+]=C(NC1=CC=CC=C1)NC2=NC(=CC(=N2)C)C

Isomeric SMILES

CCC(=O)/[NH+]=C(\NC1=CC=CC=C1)/NC2=NC(=CC(=N2)C)C

InChI

InChI=1S/C16H19N5O/c1-4-14(22)20-16(19-13-8-6-5-7-9-13)21-15-17-11(2)10-12(3)18-15/h5-10H,4H2,1-3H3,(H2,17,18,19,20,21,22)/p+1