[3-(5,6-dimethyl-4-oxidanylidene-1H-pyrimidin-2-yl)phenyl]methyl-methyl-[(1S)-1-pyrimidin-4-ylethyl]azanium

Systemtic Name: [3-(5,6-dimethyl-4-oxidanylidene-1H-pyrimidin-2-yl)phenyl]methyl-methyl-[(1S)-1-pyrimidin-4-ylethyl]azanium Openeye Name: [3-(5,6-dimethyl-4-oxo-1H-pyrimidin-2-yl)phenyl]methyl-methyl-[(1S)-1-pyrimidin-4-ylethyl]ammonium CAS Name: [3-(5,6-dimethyl-4-oxo-1H-pyrimidin-2-yl)phenyl]methyl-methyl-[(1S)-1-(4-pyrimidinyl)ethyl]ammonium IUPAC Name: [3-(5,6-dimethyl-4-oxo-1H-pyrimidin-2-yl)phenyl]methyl-methyl-[(1S)-1-pyrimidin-4-ylethyl]azanium Traditional Name: [3-(4-keto-5,6-dimethyl-1H-pyrimidin-2-yl)benzyl]-methyl-[(1S)-1-(4-pyrimidyl)ethyl]ammonium Formula: C20H24N5O+ MolecularWeight: 350.43746

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=NC1=O)C2=CC(=CC=C2)C[NH+](C)C(C)C3=NC=NC=C3)C

Isomeric SMILES

CC1=C(NC(=NC1=O)C2=CC(=CC=C2)C[NH+](C)[C@@H](C)C3=NC=NC=C3)C

InChI

InChI=1S/C20H23N5O/c1-13-14(2)23-19(24-20(13)26)17-7-5-6-16(10-17)11-25(4)15(3)18-8-9-21-12-22-18/h5-10,12,15H,11H2,1-4H3,(H,23,24,26)/p+1/t15-/m0/s1