(6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)-[(E)-(4-propan-2-ylphenyl)methylideneamino]azanium ethanoate

Systemtic Name: (6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)-[(E)-(4-propan-2-ylphenyl)methylideneamino]azanium ethanoate Openeye Name: [(E)-(4-isopropylphenyl)methyleneamino]-(6-methyl-4-oxo-1H-pyrimidin-2-yl)ammonium acetate CAS Name: (6-methyl-4-oxo-1H-pyrimidin-2-yl)-[(E)-(4-propan-2-ylphenyl)methylideneamino]ammonium acetate IUPAC Name: (6-methyl-4-oxo-1H-pyrimidin-2-yl)-[(E)-(4-propan-2-ylphenyl)methylideneamino]azanium acetate Traditional Name: [(E)-(4-isopropylbenzylidene)amino]-(4-keto-6-methyl-1H-pyrimidin-2-yl)ammonium acetate Formula: C17H22N4O3 MolecularWeight: 330.38158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N=C(N1)[NH2+]N=CC2=CC=C(C=C2)C(C)C.CC(=O)[O-]

Isomeric SMILES

CC1=CC(=O)N=C(N1)[NH2+]/N=C/C2=CC=C(C=C2)C(C)C.CC(=O)[O-]

InChI

InChI=1S/C15H18N4O.C2H4O2/c1-10(2)13-6-4-12(5-7-13)9-16-19-15-17-11(3)8-14(20)18-15;1-2(3)4/h4-10H,1-3H3,(H2,17,18,19,20);1H3,(H,3,4)/b16-9+;